Browse entries in the PDBbind-CN Database
HEADER 2C02_COMPLEX COMPND 2C02_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 135 MET LYS PRO PRO GLN PHE THR TRP ALA GLN TRP PHE GLU SEQRES 2 A 135 THR GLN HIS ILE ASN MET THR SER GLN GLN CYS THR ASN SEQRES 3 A 135 ALA MET GLN VAL ILE ASN ASN TYR GLN ARG ARG CYS LYS SEQRES 4 A 135 ASN GLN ASN THR PHE LEU LEU THR THR PHE ALA ASN VAL SEQRES 5 A 135 VAL ASN VAL CYS GLY ASN PRO ASN MET THR CYS PRO SER SEQRES 6 A 135 ASN LYS THR ARG LYS ASN CYS HIS HIS SER GLY SER GLN SEQRES 7 A 135 VAL PRO LEU ILE HIS CYS ASN LEU THR THR PRO SER PRO SEQRES 8 A 135 GLN ASN ILE SER ASN CYS ARG TYR ALA GLN THR PRO ALA SEQRES 9 A 135 ASN MET PHE TYR ILE VAL ALA CYS ASP ASN ARG ASP GLN SEQRES 10 A 135 ARG ARG ASP PRO PRO GLN TYR PRO VAL VAL PRO VAL HIS SEQRES 11 A 135 LEU ASP ARG ILE ILE HET ADP A 236 39 SSBOND 1 CYS A 62 CYS A 71 SSBOND 2 CYS A 23 CYS A 83 SSBOND 3 CYS A 37 CYS A 96 SSBOND 4 CYS A 55 CYS A 111 ATOM 1 N MET A 0 18.982 13.357 12.310 1.00 32.79 N ATOM 2 CA MET A 0 19.127 12.962 13.739 1.00 32.31 C ATOM 3 C MET A 0 18.689 14.125 14.616 1.00 29.32 C ATOM 4 O MET A 0 18.615 15.261 14.151 1.00 29.76 O ATOM 5 CB MET A 0 20.585 12.606 14.041 1.00 34.64 C ATOM 6 CG MET A 0 21.545 13.788 14.004 1.00 38.88 C ATOM 7 SD MET A 0 21.610 14.617 12.406 1.00 44.52 S ATOM 8 CE MET A 0 22.572 13.436 11.446 1.00 41.37 C ATOM 9 HA MET A 0 18.506 12.089 13.942 1.00 0.00 H ATOM 10 HB2 MET A 0 20.628 12.163 15.036 1.00 0.00 H ATOM 11 HB3 MET A 0 20.917 11.875 13.304 1.00 0.00 H ATOM 12 HG2 MET A 0 22.545 13.428 14.246 1.00 0.00 H ATOM 13 HG3 MET A 0 21.229 14.512 14.755 1.00 0.00 H ATOM 14 HE1 MET A 0 23.550 13.305 11.909 1.00 0.00 H ATOM 15 HE2 MET A 0 22.050 12.480 11.420 1.00 0.00 H ATOM 16 HE3 MET A 0 22.697 13.811 10.430 1.00 0.00 H ATOM 17 HN3 MET A 0 19.578 14.187 12.119 1.00 0.00 H ATOM 18 HN2 MET A 0 17.987 13.591 12.115 1.00 0.00 H ATOM 19 HN1 MET A 0 19.279 12.568 11.702 1.00 0.00 H ATOM 20 N LYS A 1 18.401 13.854 15.884 1.00 26.89 N ATOM 21 CA LYS A 1 17.974 14.929 16.765 1.00 24.20 C ATOM 22 C LYS A 1 18.830 15.104 18.003 1.00 22.73 C ATOM 23 O LYS A 1 19.364 14.140 18.550 1.00 21.75 O ATOM 24 CB LYS A 1 16.523 14.723 17.199 1.00 26.14 C ATOM 25 CG LYS A 1 16.311 13.639 18.228 1.00 23.82 C ATOM 26 CD LYS A 1 14.877 13.671 18.752 1.00 24.38 C ATOM 27 CE LYS A 1 14.612 12.539 19.742 1.00 23.05 C ATOM 28 NZ LYS A 1 15.468 12.630 20.958 1.00 21.46 N ATOM 29 HA LYS A 1 18.083 15.837 16.172 1.00 0.00 H ATOM 30 HB2 LYS A 1 16.158 15.662 17.617 1.00 0.00 H ATOM 31 HB3 LYS A 1 15.938 14.469 16.315 1.00 0.00 H ATOM 32 HG2 LYS A 1 16.505 12.668 17.772 1.00 0.00 H ATOM 33 HG3 LYS A 1 17.000 13.793 19.058 1.00 0.00 H ATOM 34 HD2 LYS A 1 14.704 14.625 19.251 1.00 0.00 H ATOM 35 HD3 LYS A 1 14.191 13.573 17.911 1.00 0.00 H ATOM 36 HE2 LYS A 1 14.809 11.588 19.247 1.00 0.00 H ATOM 37 HE3 LYS A 1 13.566 12.579 20.047 1.00 0.00 H ATOM 38 HZ1 LYS A 1 16.469 12.584 20.680 1.00 0.00 H ATOM 39 HZ2 LYS A 1 15.283 13.530 21.444 1.00 0.00 H ATOM 40 HZ3 LYS A 1 15.248 11.839 21.596 1.00 0.00 H ATOM 41 H LYS A 1 18.480 12.881 16.244 1.00 0.00 H ATOM 42 N PRO A 2 18.985 16.355 18.455 1.00 21.09 N ATOM 43 CA PRO A 2 19.779 16.651 19.651 1.00 19.95 C ATOM 44 C PRO A 2 19.065 15.956 20.811 1.00 18.16 C ATOM 45 O PRO A 2 17.862 15.721 20.744 1.00 17.38 O ATOM 46 CB PRO A 2 19.712 18.174 19.740 1.00 20.84 C ATOM 47 CG PRO A 2 19.560 18.586 18.292 1.00 21.02 C ATOM 48 CD PRO A 2 18.545 17.595 17.793 1.00 20.36 C ATOM 49 HA PRO A 2 20.816 16.315 19.650 1.00 0.00 H ATOM 50 HD3 PRO A 2 17.536 17.872 18.098 1.00 0.00 H ATOM 51 HD2 PRO A 2 18.582 17.501 16.708 1.00 0.00 H ATOM 52 HG3 PRO A 2 20.503 18.495 17.752 1.00 0.00 H ATOM 53 HG2 PRO A 2 19.192 19.608 18.207 1.00 0.00 H ATOM 54 HB2 PRO A 2 18.856 18.496 20.333 1.00 0.00 H ATOM 55 HB3 PRO A 2 20.625 18.583 20.172 1.00 0.00 H ATOM 56 N PRO A 3 19.789 15.637 21.893 1.00 18.46 N ATOM 57 CA PRO A 3 19.198 14.954 23.051 1.00 17.13 C ATOM 58 C PRO A 3 18.116 15.686 23.850 1.00 18.10 C ATOM 59 O PRO A 3 17.258 15.041 24.464 1.00 17.10 O ATOM 60 CB PRO A 3 20.421 14.619 23.902 1.00 16.60 C ATOM 61 CG PRO A 3 21.315 15.820 23.661 1.00 18.24 C ATOM 62 CD PRO A 3 21.189 16.024 22.159 1.00 17.92 C ATOM 63 HA PRO A 3 18.612 14.101 22.709 1.00 0.00 H ATOM 64 HD3 PRO A 3 21.368 17.064 21.887 1.00 0.00 H ATOM 65 HD2 PRO A 3 21.884 15.384 21.616 1.00 0.00 H ATOM 66 HG3 PRO A 3 22.346 15.608 23.946 1.00 0.00 H ATOM 67 HG2 PRO A 3 20.960 16.693 24.209 1.00 0.00 H ATOM 68 HB2 PRO A 3 20.157 14.527 24.956 1.00 0.00 H ATOM 69 HB3 PRO A 3 20.897 13.698 23.566 1.00 0.00 H ATOM 70 N GLN A 4 18.147 17.018 23.846 1.00 16.59 N ATOM 71 CA GLN A 4 17.167 17.800 24.599 1.00 17.45 C ATOM 72 C GLN A 4 15.763 17.771 24.003 1.00 18.70 C ATOM 73 O GLN A 4 14.826 18.283 24.612 1.00 18.80 O ATOM 74 CB GLN A 4 17.609 19.267 24.725 1.00 17.52 C ATOM 75 CG GLN A 4 17.648 20.051 23.408 1.00 17.01 C ATOM 76 CD GLN A 4 19.027 20.055 22.765 1.00 20.20 C ATOM 77 OE1 GLN A 4 19.686 19.017 22.673 1.00 18.54 O ATOM 78 NE2 GLN A 4 19.466 21.227 22.309 1.00 18.91 N ATOM 79 HA GLN A 4 17.123 17.324 25.578 1.00 0.00 H ATOM 80 HB2 GLN A 4 16.916 19.772 25.398 1.00 0.00 H ATOM 81 HB3 GLN A 4 18.610 19.282 25.157 1.00 0.00 H ATOM 82 HG2 GLN A 4 16.940 19.600 22.713 1.00 0.00 H ATOM 83 HG3 GLN A 4 17.353 21.081 23.607 1.00 0.00 H ATOM 84 HE22 GLN A 4 18.876 22.078 22.408 1.00 0.00 H ATOM 85 HE21 GLN A 4 20.399 21.291 21.854 1.00 0.00 H ATOM 86 H GLN A 4 18.881 17.510 23.298 1.00 0.00 H ATOM 87 N PHE A 5 15.618 17.173 22.824 1.00 17.40 N ATOM 88 CA PHE A 5 14.323 17.107 22.153 1.00 18.70 C ATOM 89 C PHE A 5 13.643 15.742 22.160 1.00 18.91 C ATOM 90 O PHE A 5 14.288 14.707 21.981 1.00 18.77 O ATOM 91 CB PHE A 5 14.445 17.493 20.674 1.00 19.98 C ATOM 92 CG PHE A 5 14.934 18.883 20.430 1.00 23.48 C ATOM 93 CD1 PHE A 5 16.286 19.133 20.241 1.00 23.10 C ATOM 94 CD2 PHE A 5 14.037 19.939 20.338 1.00 25.36 C ATOM 95 CE1 PHE A 5 16.740 20.413 19.960 1.00 23.71 C ATOM 96 CE2 PHE A 5 14.483 21.227 20.058 1.00 28.12 C ATOM 97 CZ PHE A 5 15.839 21.462 19.868 1.00 26.69 C ATOM 98 HA PHE A 5 13.718 17.802 22.735 1.00 0.00 H ATOM 99 HB2 PHE A 5 15.139 16.800 20.198 1.00 0.00 H ATOM 100 HB3 PHE A 5 13.462 17.393 20.215 1.00 0.00 H ATOM 101 HD2 PHE A 5 12.973 19.757 20.487 1.00 0.00 H ATOM 102 HE2 PHE A 5 13.771 22.049 19.988 1.00 0.00 H ATOM 103 HZ PHE A 5 16.193 22.469 19.647 1.00 0.00 H ATOM 104 HE1 PHE A 5 17.805 20.594 19.812 1.00 0.00 H ATOM 105 HD1 PHE A 5 17.000 18.313 20.314 1.00 0.00 H ATOM 106 H PHE A 5 16.448 16.742 22.369 1.00 0.00 H ATOM 107 N THR A 6 12.330 15.750 22.352 1.00 18.11 N ATOM 108 CA THR A 6 11.558 14.518 22.265 1.00 17.90 C ATOM 109 C THR A 6 11.323 14.484 20.755 1.00 17.62 C ATOM 110 O THR A 6 11.631 15.463 20.073 1.00 16.93 O ATOM 111 CB THR A 6 10.202 14.641 22.965 1.00 17.40 C ATOM 112 OG1 THR A 6 9.445 15.695 22.351 1.00 16.08 O ATOM 113 CG2 THR A 6 10.396 14.932 24.452 1.00 13.96 C ATOM 114 HA THR A 6 12.045 13.653 22.715 1.00 0.00 H ATOM 115 HB THR A 6 9.661 13.700 22.866 1.00 0.00 H ATOM 116 HG1 THR A 6 8.568 15.776 22.803 1.00 0.00 H ATOM 117 HG23 THR A 6 10.971 14.126 24.907 1.00 0.00 H ATOM 118 HG21 THR A 6 10.932 15.874 24.570 1.00 0.00 H ATOM 119 HG22 THR A 6 9.422 15.004 24.937 1.00 0.00 H ATOM 120 H THR A 6 11.847 16.646 22.567 1.00 0.00 H ATOM 121 N TRP A 7 10.787 13.395 20.218 1.00 17.19 N ATOM 122 CA TRP A 7 10.567 13.348 18.775 1.00 16.57 C ATOM 123 C TRP A 7 9.541 14.379 18.336 1.00 15.69 C ATOM 124 O TRP A 7 9.659 14.956 17.255 1.00 15.91 O ATOM 125 CB TRP A 7 10.122 11.955 18.336 1.00 18.73 C ATOM 126 CG TRP A 7 11.234 10.953 18.374 1.00 22.31 C ATOM 127 CD1 TRP A 7 11.358 9.898 19.228 1.00 24.03 C ATOM 128 CD2 TRP A 7 12.387 10.922 17.524 1.00 23.30 C ATOM 129 NE1 TRP A 7 12.519 9.207 18.963 1.00 24.57 N ATOM 130 CE2 TRP A 7 13.169 9.815 17.922 1.00 24.88 C ATOM 131 CE3 TRP A 7 12.836 11.723 16.465 1.00 23.35 C ATOM 132 CZ2 TRP A 7 14.376 9.486 17.297 1.00 24.14 C ATOM 133 CZ3 TRP A 7 14.038 11.396 15.842 1.00 26.57 C ATOM 134 CH2 TRP A 7 14.794 10.285 16.262 1.00 24.66 C ATOM 135 HA TRP A 7 11.517 13.583 18.296 1.00 0.00 H ATOM 136 HB2 TRP A 7 9.326 11.618 19.000 1.00 0.00 H ATOM 137 HB3 TRP A 7 9.742 12.016 17.316 1.00 0.00 H ATOM 138 HE1 TRP A 7 12.849 8.361 19.471 1.00 0.00 H ATOM 139 HD1 TRP A 7 10.642 9.639 20.008 1.00 0.00 H ATOM 140 HZ2 TRP A 7 14.963 8.626 17.620 1.00 0.00 H ATOM 141 HH2 TRP A 7 15.731 10.054 15.755 1.00 0.00 H ATOM 142 HZ3 TRP A 7 14.399 12.010 15.017 1.00 0.00 H ATOM 143 HE3 TRP A 7 12.256 12.585 16.135 1.00 0.00 H ATOM 144 H TRP A 7 10.527 12.586 20.817 1.00 0.00 H ATOM 145 N ALA A 8 8.538 14.604 19.178 1.00 13.68 N ATOM 146 CA ALA A 8 7.485 15.569 18.892 1.00 13.44 C ATOM 147 C ALA A 8 8.028 16.993 18.856 1.00 14.48 C ATOM 148 O ALA A 8 7.641 17.795 18.007 1.00 14.32 O ATOM 149 CB ALA A 8 6.384 15.465 19.940 1.00 14.96 C ATOM 150 HA ALA A 8 7.077 15.336 17.908 1.00 0.00 H ATOM 151 HB1 ALA A 8 5.964 14.459 19.925 1.00 0.00 H ATOM 152 HB2 ALA A 8 6.802 15.671 20.926 1.00 0.00 H ATOM 153 HB3 ALA A 8 5.602 16.191 19.717 1.00 0.00 H ATOM 154 H ALA A 8 8.504 14.073 20.072 1.00 0.00 H ATOM 155 N GLN A 9 8.922 17.313 19.783 1.00 14.61 N ATOM 156 CA GLN A 9 9.486 18.654 19.828 1.00 15.16 C ATOM 157 C GLN A 9 10.399 18.877 18.634 1.00 15.59 C ATOM 158 O GLN A 9 10.482 19.989 18.106 1.00 15.07 O ATOM 159 CB GLN A 9 10.254 18.857 21.132 1.00 12.99 C ATOM 160 CG GLN A 9 9.375 18.724 22.375 1.00 16.61 C ATOM 161 CD GLN A 9 10.183 18.734 23.657 1.00 16.17 C ATOM 162 OE1 GLN A 9 11.295 18.223 23.691 1.00 16.31 O ATOM 163 NE2 GLN A 9 9.618 19.299 24.721 1.00 17.76 N ATOM 164 HA GLN A 9 8.675 19.381 19.786 1.00 0.00 H ATOM 165 HB2 GLN A 9 11.047 18.112 21.187 1.00 0.00 H ATOM 166 HB3 GLN A 9 10.694 19.854 21.124 1.00 0.00 H ATOM 167 HG2 GLN A 9 8.672 19.556 22.398 1.00 0.00 H ATOM 168 HG3 GLN A 9 8.824 17.786 22.316 1.00 0.00 H ATOM 169 HE22 GLN A 9 8.671 19.721 24.644 1.00 0.00 H ATOM 170 HE21 GLN A 9 10.124 19.319 25.629 1.00 0.00 H ATOM 171 H GLN A 9 9.221 16.602 20.481 1.00 0.00 H ATOM 172 N TRP A 10 11.075 17.811 18.210 1.00 15.09 N ATOM 173 CA TRP A 10 11.982 17.878 17.068 1.00 15.45 C ATOM 174 C TRP A 10 11.182 18.041 15.778 1.00 14.78 C ATOM 175 O TRP A 10 11.612 18.726 14.841 1.00 13.58 O ATOM 176 CB TRP A 10 12.835 16.606 16.991 1.00 14.94 C ATOM 177 CG TRP A 10 13.894 16.657 15.916 1.00 16.44 C ATOM 178 CD1 TRP A 10 14.140 15.710 14.963 1.00 17.26 C ATOM 179 CD2 TRP A 10 14.850 17.706 15.694 1.00 15.05 C ATOM 180 NE1 TRP A 10 15.184 16.103 14.162 1.00 16.18 N ATOM 181 CE2 TRP A 10 15.639 17.323 14.588 1.00 16.56 C ATOM 182 CE3 TRP A 10 15.114 18.932 16.323 1.00 16.57 C ATOM 183 CZ2 TRP A 10 16.680 18.124 14.091 1.00 17.61 C ATOM 184 CZ3 TRP A 10 16.150 19.730 15.831 1.00 17.18 C ATOM 185 CH2 TRP A 10 16.919 19.318 14.723 1.00 16.74 C ATOM 186 HA TRP A 10 12.641 18.737 17.194 1.00 0.00 H ATOM 187 HB2 TRP A 10 13.326 16.460 17.953 1.00 0.00 H ATOM 188 HB3 TRP A 10 12.177 15.761 16.788 1.00 0.00 H ATOM 189 HE1 TRP A 10 15.567 15.562 13.361 1.00 0.00 H ATOM 190 HD1 TRP A 10 13.587 14.777 14.854 1.00 0.00 H ATOM 191 HZ2 TRP A 10 17.276 17.809 13.235 1.00 0.00 H ATOM 192 HH2 TRP A 10 17.720 19.962 14.361 1.00 0.00 H ATOM 193 HZ3 TRP A 10 16.367 20.685 16.310 1.00 0.00 H ATOM 194 HE3 TRP A 10 14.522 19.256 17.179 1.00 0.00 H ATOM 195 H TRP A 10 10.953 16.905 18.706 1.00 0.00 H ATOM 196 N PHE A 11 10.025 17.386 15.728 1.00 14.11 N ATOM 197 CA PHE A 11 9.139 17.471 14.569 1.00 12.42 C ATOM 198 C PHE A 11 8.671 18.917 14.457 1.00 12.61 C ATOM 199 O PHE A 11 8.653 19.510 13.375 1.00 10.89 O ATOM 200 CB PHE A 11 7.918 16.563 14.764 1.00 12.64 C ATOM 201 CG PHE A 11 6.852 16.744 13.713 1.00 12.82 C ATOM 202 CD1 PHE A 11 6.915 16.056 12.506 1.00 13.36 C ATOM 203 CD2 PHE A 11 5.818 17.655 13.908 1.00 13.93 C ATOM 204 CE1 PHE A 11 5.963 16.275 11.502 1.00 12.81 C ATOM 205 CE2 PHE A 11 4.865 17.882 12.913 1.00 14.44 C ATOM 206 CZ PHE A 11 4.940 17.190 11.707 1.00 13.84 C ATOM 207 HA PHE A 11 9.667 17.154 13.670 1.00 0.00 H ATOM 208 HB2 PHE A 11 8.253 15.526 14.739 1.00 0.00 H ATOM 209 HB3 PHE A 11 7.481 16.779 15.739 1.00 0.00 H ATOM 210 HD2 PHE A 11 5.751 18.199 14.850 1.00 0.00 H ATOM 211 HE2 PHE A 11 4.063 18.601 13.080 1.00 0.00 H ATOM 212 HZ PHE A 11 4.199 17.366 10.928 1.00 0.00 H ATOM 213 HE1 PHE A 11 6.026 15.728 10.561 1.00 0.00 H ATOM 214 HD1 PHE A 11 7.716 15.336 12.339 1.00 0.00 H ATOM 215 H PHE A 11 9.743 16.797 16.537 1.00 0.00 H ATOM 216 N GLU A 12 8.286 19.477 15.597 1.00 12.79 N ATOM 217 CA GLU A 12 7.811 20.848 15.645 1.00 14.53 C ATOM 218 C GLU A 12 8.915 21.819 15.229 1.00 15.07 C ATOM 219 O GLU A 12 8.678 22.756 14.464 1.00 14.38 O ATOM 220 CB GLU A 12 7.322 21.173 17.061 1.00 16.03 C ATOM 221 CG GLU A 12 6.882 22.619 17.273 1.00 17.95 C ATOM 222 CD GLU A 12 6.276 22.835 18.649 1.00 20.19 C ATOM 223 OE1 GLU A 12 6.887 22.381 19.641 1.00 19.78 O ATOM 224 OE2 GLU A 12 5.196 23.455 18.741 1.00 18.19 O ATOM 225 HA GLU A 12 6.983 20.958 14.944 1.00 0.00 H ATOM 226 HB2 GLU A 12 6.475 20.525 17.284 1.00 0.00 H ATOM 227 HB3 GLU A 12 8.134 20.960 17.757 1.00 0.00 H ATOM 228 HG2 GLU A 12 7.749 23.270 17.164 1.00 0.00 H ATOM 229 HG3 GLU A 12 6.140 22.875 16.517 1.00 0.00 H ATOM 230 H GLU A 12 8.325 18.921 16.475 1.00 0.00 H ATOM 231 N THR A 13 10.125 21.585 15.726 1.00 15.69 N ATOM 232 CA THR A 13 11.264 22.442 15.413 1.00 16.29 C ATOM 233 C THR A 13 11.626 22.399 13.932 1.00 17.46 C ATOM 234 O THR A 13 11.988 23.414 13.336 1.00 17.05 O ATOM 235 CB THR A 13 12.494 22.021 16.239 1.00 16.52 C ATOM 236 OG1 THR A 13 12.176 22.123 17.632 1.00 14.69 O ATOM 237 CG2 THR A 13 13.691 22.917 15.935 1.00 15.92 C ATOM 238 HA THR A 13 10.971 23.461 15.666 1.00 0.00 H ATOM 239 HB THR A 13 12.754 20.995 15.978 1.00 0.00 H ATOM 240 HG1 THR A 13 11.413 21.527 17.840 1.00 0.00 H ATOM 241 HG23 THR A 13 13.938 22.844 14.876 1.00 0.00 H ATOM 242 HG21 THR A 13 13.442 23.949 16.181 1.00 0.00 H ATOM 243 HG22 THR A 13 14.545 22.596 16.532 1.00 0.00 H ATOM 244 H THR A 13 10.264 20.769 16.355 1.00 0.00 H ATOM 245 N GLN A 14 11.508 21.221 13.334 1.00 16.22 N ATOM 246 CA GLN A 14 11.850 21.052 11.933 1.00 16.50 C ATOM 247 C GLN A 14 10.763 21.318 10.913 1.00 15.24 C ATOM 248 O GLN A 14 11.063 21.757 9.805 1.00 15.17 O ATOM 249 CB GLN A 14 12.369 19.634 11.680 1.00 18.25 C ATOM 250 CG GLN A 14 13.764 19.362 12.180 1.00 17.60 C ATOM 251 CD GLN A 14 14.343 18.112 11.547 1.00 20.97 C ATOM 252 OE1 GLN A 14 15.443 18.133 10.998 1.00 19.98 O ATOM 253 NE2 GLN A 14 13.598 17.016 11.617 1.00 19.38 N ATOM 254 HA GLN A 14 12.601 21.827 11.779 1.00 0.00 H ATOM 255 HB2 GLN A 14 11.692 18.934 12.171 1.00 0.00 H ATOM 256 HB3 GLN A 14 12.356 19.457 10.605 1.00 0.00 H ATOM 257 HG2 GLN A 14 14.401 20.212 11.935 1.00 0.00 H ATOM 258 HG3 GLN A 14 13.734 19.231 13.262 1.00 0.00 H ATOM 259 HE22 GLN A 14 12.673 17.045 12.092 1.00 0.00 H ATOM 260 HE21 GLN A 14 13.939 16.128 11.197 1.00 0.00 H ATOM 261 H GLN A 14 11.164 20.404 13.878 1.00 0.00 H ATOM 262 N HIS A 15 9.506 21.069 11.272 1.00 15.50 N ATOM 263 CA HIS A 15 8.432 21.214 10.296 1.00 14.10 C ATOM 264 C HIS A 15 7.263 22.131 10.609 1.00 13.85 C ATOM 265 O HIS A 15 6.358 22.271 9.792 1.00 15.79 O ATOM 266 CB HIS A 15 7.906 19.818 9.959 1.00 15.52 C ATOM 267 CG HIS A 15 8.987 18.854 9.586 1.00 14.19 C ATOM 268 ND1 HIS A 15 9.762 19.011 8.458 1.00 15.06 N ATOM 269 CD2 HIS A 15 9.454 17.748 10.212 1.00 17.54 C ATOM 270 CE1 HIS A 15 10.659 18.044 8.404 1.00 17.90 C ATOM 271 NE2 HIS A 15 10.495 17.263 9.457 1.00 16.64 N ATOM 272 HA HIS A 15 8.911 21.732 9.465 1.00 0.00 H ATOM 273 HB2 HIS A 15 7.378 19.427 10.829 1.00 0.00 H ATOM 274 HB3 HIS A 15 7.212 19.902 9.122 1.00 0.00 H ATOM 275 HD2 HIS A 15 9.075 17.322 11.141 1.00 0.00 H ATOM 276 HE1 HIS A 15 11.408 17.912 7.623 1.00 0.00 H ATOM 277 H HIS A 15 9.290 20.772 12.245 1.00 0.00 H ATOM 278 N ILE A 16 7.272 22.766 11.771 1.00 15.09 N ATOM 279 CA ILE A 16 6.171 23.650 12.118 1.00 16.66 C ATOM 280 C ILE A 16 6.642 25.058 12.461 1.00 17.40 C ATOM 281 O ILE A 16 6.102 26.040 11.956 1.00 18.86 O ATOM 282 CB ILE A 16 5.371 23.109 13.318 1.00 16.85 C ATOM 283 CG1 ILE A 16 4.827 21.708 13.009 1.00 15.98 C ATOM 284 CG2 ILE A 16 4.231 24.079 13.656 1.00 16.54 C ATOM 285 CD1 ILE A 16 3.778 21.669 11.912 1.00 17.95 C ATOM 286 HA ILE A 16 5.538 23.691 11.232 1.00 0.00 H ATOM 287 HB ILE A 16 6.029 23.029 14.183 1.00 0.00 H ATOM 288 HG12 ILE A 16 5.662 21.077 12.705 1.00 0.00 H ATOM 289 HG13 ILE A 16 4.383 21.306 13.920 1.00 0.00 H ATOM 290 HD11 ILE A 16 2.926 22.284 12.203 1.00 0.00 H ATOM 291 HD12 ILE A 16 4.207 22.055 10.987 1.00 0.00 H ATOM 292 HD13 ILE A 16 3.450 20.640 11.761 1.00 0.00 H ATOM 293 HG21 ILE A 16 4.648 25.054 13.908 1.00 0.00 H ATOM 294 HG22 ILE A 16 3.571 24.176 12.794 1.00 0.00 H ATOM 295 HG23 ILE A 16 3.667 23.693 14.505 1.00 0.00 H ATOM 296 H ILE A 16 8.063 22.633 12.433 1.00 0.00 H ATOM 297 N ASN A 17 7.654 25.160 13.313 1.00 17.64 N ATOM 298 CA ASN A 17 8.142 26.473 13.715 1.00 17.37 C ATOM 299 C ASN A 17 9.186 27.088 12.807 1.00 18.40 C ATOM 300 O ASN A 17 10.360 27.175 13.169 1.00 19.04 O ATOM 301 CB ASN A 17 8.682 26.427 15.141 1.00 16.16 C ATOM 302 CG ASN A 17 7.604 26.123 16.156 1.00 17.26 C ATOM 303 OD1 ASN A 17 6.418 26.388 15.919 1.00 16.82 O ATOM 304 ND2 ASN A 17 8.007 25.578 17.302 1.00 14.73 N ATOM 305 HA ASN A 17 7.268 27.120 13.642 1.00 0.00 H ATOM 306 HB2 ASN A 17 9.448 25.654 15.201 1.00 0.00 H ATOM 307 HB3 ASN A 17 9.125 27.394 15.379 1.00 0.00 H ATOM 308 HD22 ASN A 17 9.015 25.374 17.454 1.00 0.00 H ATOM 309 HD21 ASN A 17 7.314 25.357 18.045 1.00 0.00 H ATOM 310 H ASN A 17 8.100 24.301 13.695 1.00 0.00 H ATOM 311 N MET A 18 8.756 27.523 11.628 1.00 17.54 N ATOM 312 CA MET A 18 9.673 28.159 10.698 1.00 16.75 C ATOM 313 C MET A 18 9.910 29.547 11.286 1.00 17.99 C ATOM 314 O MET A 18 9.056 30.427 11.180 1.00 17.48 O ATOM 315 CB MET A 18 9.036 28.261 9.316 1.00 17.42 C ATOM 316 CG MET A 18 10.017 28.626 8.226 1.00 13.83 C ATOM 317 SD MET A 18 9.283 28.488 6.593 1.00 16.72 S ATOM 318 CE MET A 18 10.713 28.882 5.567 1.00 11.78 C ATOM 319 HA MET A 18 10.600 27.600 10.574 1.00 0.00 H ATOM 320 HB2 MET A 18 8.589 27.298 9.070 1.00 0.00 H ATOM 321 HB3 MET A 18 8.258 29.023 9.350 1.00 0.00 H ATOM 322 HG2 MET A 18 10.875 27.957 8.285 1.00 0.00 H ATOM 323 HG3 MET A 18 10.348 29.653 8.379 1.00 0.00 H ATOM 324 HE1 MET A 18 11.067 29.884 5.809 1.00 0.00 H ATOM 325 HE2 MET A 18 11.506 28.159 5.758 1.00 0.00 H ATOM 326 HE3 MET A 18 10.427 28.841 4.516 1.00 0.00 H ATOM 327 H MET A 18 7.755 27.407 11.369 1.00 0.00 H ATOM 328 N THR A 19 11.071 29.732 11.908 1.00 16.22 N ATOM 329 CA THR A 19 11.404 30.989 12.571 1.00 15.61 C ATOM 330 C THR A 19 11.503 32.214 11.678 1.00 17.46 C ATOM 331 O THR A 19 11.530 33.344 12.172 1.00 16.75 O ATOM 332 CB THR A 19 12.710 30.853 13.370 1.00 14.33 C ATOM 333 OG1 THR A 19 13.765 30.415 12.503 1.00 13.48 O ATOM 334 CG2 THR A 19 12.528 29.840 14.495 1.00 14.42 C ATOM 335 HA THR A 19 10.548 31.168 13.222 1.00 0.00 H ATOM 336 HB THR A 19 12.967 31.823 13.796 1.00 0.00 H ATOM 337 HG1 THR A 19 13.526 29.537 12.112 1.00 0.00 H ATOM 338 HG23 THR A 19 11.726 30.172 15.155 1.00 0.00 H ATOM 339 HG21 THR A 19 12.272 28.869 14.070 1.00 0.00 H ATOM 340 HG22 THR A 19 13.456 29.757 15.061 1.00 0.00 H ATOM 341 H THR A 19 11.764 28.956 11.922 1.00 0.00 H ATOM 342 N SER A 20 11.544 31.986 10.372 1.00 17.34 N ATOM 343 CA SER A 20 11.639 33.059 9.386 1.00 18.60 C ATOM 344 C SER A 20 11.006 32.565 8.091 1.00 17.78 C ATOM 345 O SER A 20 11.068 31.375 7.789 1.00 18.43 O ATOM 346 CB SER A 20 13.112 33.408 9.138 1.00 17.12 C ATOM 347 OG SER A 20 13.279 34.131 7.932 1.00 19.87 O ATOM 348 HA SER A 20 11.125 33.950 9.746 1.00 0.00 H ATOM 349 HB2 SER A 20 13.690 32.486 9.081 1.00 0.00 H ATOM 350 HB3 SER A 20 13.477 34.013 9.968 1.00 0.00 H ATOM 351 HG SER A 20 14.238 34.339 7.804 1.00 0.00 H ATOM 352 H SER A 20 11.507 31.002 10.036 1.00 0.00 H ATOM 353 N GLN A 21 10.398 33.469 7.326 1.00 17.47 N ATOM 354 CA GLN A 21 9.779 33.075 6.066 1.00 17.38 C ATOM 355 C GLN A 21 10.844 32.809 5.002 1.00 18.44 C ATOM 356 O GLN A 21 10.527 32.395 3.890 1.00 18.26 O ATOM 357 CB GLN A 21 8.796 34.149 5.577 1.00 17.58 C ATOM 358 CG GLN A 21 7.524 34.239 6.407 1.00 15.57 C ATOM 359 CD GLN A 21 6.414 35.000 5.709 1.00 16.80 C ATOM 360 OE1 GLN A 21 6.057 34.694 4.571 1.00 16.42 O ATOM 361 NE2 GLN A 21 5.854 35.990 6.392 1.00 15.37 N ATOM 362 HA GLN A 21 9.222 32.154 6.240 1.00 0.00 H ATOM 363 HB2 GLN A 21 9.298 35.116 5.611 1.00 0.00 H ATOM 364 HB3 GLN A 21 8.520 33.920 4.548 1.00 0.00 H ATOM 365 HG2 GLN A 21 7.174 33.228 6.617 1.00 0.00 H ATOM 366 HG3 GLN A 21 7.756 34.744 7.345 1.00 0.00 H ATOM 367 HE22 GLN A 21 6.188 36.214 7.351 1.00 0.00 H ATOM 368 HE21 GLN A 21 5.081 36.542 5.968 1.00 0.00 H ATOM 369 H GLN A 21 10.364 34.463 7.629 1.00 0.00 H ATOM 370 N GLN A 22 12.105 33.047 5.351 1.00 17.46 N ATOM 371 CA GLN A 22 13.214 32.819 4.430 1.00 19.03 C ATOM 372 C GLN A 22 13.905 31.529 4.845 1.00 17.09 C ATOM 373 O GLN A 22 14.306 31.381 5.999 1.00 16.56 O ATOM 374 CB GLN A 22 14.220 33.977 4.490 1.00 21.62 C ATOM 375 CG GLN A 22 13.691 35.312 3.986 1.00 27.01 C ATOM 376 CD GLN A 22 13.340 35.281 2.511 1.00 32.59 C ATOM 377 OE1 GLN A 22 14.166 34.915 1.673 1.00 35.63 O ATOM 378 NE2 GLN A 22 12.110 35.670 2.184 1.00 33.71 N ATOM 379 HA GLN A 22 12.836 32.751 3.410 1.00 0.00 H ATOM 380 HB2 GLN A 22 14.528 34.105 5.528 1.00 0.00 H ATOM 381 HB3 GLN A 22 15.086 33.706 3.886 1.00 0.00 H ATOM 382 HG2 GLN A 22 12.796 35.570 4.553 1.00 0.00 H ATOM 383 HG3 GLN A 22 14.454 36.074 4.148 1.00 0.00 H ATOM 384 HE22 GLN A 22 11.446 35.971 2.925 1.00 0.00 H ATOM 385 HE21 GLN A 22 11.813 35.673 1.187 1.00 0.00 H ATOM 386 H GLN A 22 12.306 33.405 6.306 1.00 0.00 H ATOM 387 N CYS A 23 14.049 30.600 3.907 1.00 15.63 N ATOM 388 CA CYS A 23 14.678 29.318 4.202 1.00 16.14 C ATOM 389 C CYS A 23 16.097 29.408 4.755 1.00 17.23 C ATOM 390 O CYS A 23 16.426 28.731 5.729 1.00 18.35 O ATOM 391 CB CYS A 23 14.687 28.433 2.958 1.00 17.25 C ATOM 392 SG CYS A 23 13.138 27.550 2.598 1.00 15.64 S ATOM 393 HA CYS A 23 14.067 28.884 4.994 1.00 0.00 H ATOM 394 HB2 CYS A 23 15.474 27.689 3.083 1.00 0.00 H ATOM 395 HB3 CYS A 23 14.918 29.065 2.100 1.00 0.00 H ATOM 396 H CYS A 23 13.707 30.790 2.944 1.00 0.00 H ATOM 397 N THR A 24 16.942 30.230 4.142 1.00 16.35 N ATOM 398 CA THR A 24 18.319 30.355 4.611 1.00 16.85 C ATOM 399 C THR A 24 18.383 30.676 6.107 1.00 16.23 C ATOM 400 O THR A 24 19.225 30.139 6.824 1.00 15.43 O ATOM 401 CB THR A 24 19.081 31.430 3.817 1.00 16.24 C ATOM 402 OG1 THR A 24 19.192 31.015 2.451 1.00 18.53 O ATOM 403 CG2 THR A 24 20.472 31.638 4.397 1.00 17.73 C ATOM 404 HA THR A 24 18.796 29.389 4.447 1.00 0.00 H ATOM 405 HB THR A 24 18.533 32.370 3.879 1.00 0.00 H ATOM 406 HG1 THR A 24 18.287 30.898 2.068 1.00 0.00 H ATOM 407 HG23 THR A 24 20.387 31.954 5.437 1.00 0.00 H ATOM 408 HG21 THR A 24 21.030 30.703 4.344 1.00 0.00 H ATOM 409 HG22 THR A 24 20.992 32.406 3.824 1.00 0.00 H ATOM 410 H THR A 24 16.621 30.787 3.324 1.00 0.00 H ATOM 411 N ASN A 25 17.493 31.548 6.570 1.00 15.45 N ATOM 412 CA ASN A 25 17.445 31.915 7.985 1.00 16.90 C ATOM 413 C ASN A 25 16.783 30.824 8.822 1.00 14.43 C ATOM 414 O ASN A 25 17.278 30.463 9.888 1.00 16.12 O ATOM 415 CB ASN A 25 16.674 33.227 8.179 1.00 17.15 C ATOM 416 CG ASN A 25 17.431 34.430 7.665 1.00 23.26 C ATOM 417 OD1 ASN A 25 18.548 34.701 8.097 1.00 28.35 O ATOM 418 ND2 ASN A 25 16.824 35.165 6.740 1.00 27.50 N ATOM 419 HA ASN A 25 18.475 32.041 8.319 1.00 0.00 H ATOM 420 HB2 ASN A 25 15.726 33.157 7.645 1.00 0.00 H ATOM 421 HB3 ASN A 25 16.481 33.364 9.243 1.00 0.00 H ATOM 422 HD22 ASN A 25 15.877 34.898 6.403 1.00 0.00 H ATOM 423 HD21 ASN A 25 17.296 36.007 6.353 1.00 0.00 H ATOM 424 H ASN A 25 16.815 31.980 5.910 1.00 0.00 H ATOM 425 N ALA A 26 15.659 30.306 8.339 1.00 12.84 N ATOM 426 CA ALA A 26 14.935 29.266 9.057 1.00 14.11 C ATOM 427 C ALA A 26 15.771 28.005 9.214 1.00 14.72 C ATOM 428 O ALA A 26 15.758 27.379 10.269 1.00 16.05 O ATOM 429 CB ALA A 26 13.641 28.933 8.331 1.00 11.81 C ATOM 430 HA ALA A 26 14.710 29.649 10.052 1.00 0.00 H ATOM 431 HB1 ALA A 26 13.019 29.826 8.271 1.00 0.00 H ATOM 432 HB2 ALA A 26 13.870 28.581 7.325 1.00 0.00 H ATOM 433 HB3 ALA A 26 13.109 28.154 8.878 1.00 0.00 H ATOM 434 H ALA A 26 15.289 30.650 7.430 1.00 0.00 H ATOM 435 N MET A 27 16.492 27.635 8.160 1.00 16.27 N ATOM 436 CA MET A 27 17.311 26.429 8.188 1.00 15.74 C ATOM 437 C MET A 27 18.493 26.486 9.150 1.00 16.65 C ATOM 438 O MET A 27 19.041 25.450 9.517 1.00 17.87 O ATOM 439 CB MET A 27 17.819 26.096 6.778 1.00 16.92 C ATOM 440 CG MET A 27 16.749 25.547 5.834 1.00 13.48 C ATOM 441 SD MET A 27 15.765 24.196 6.565 1.00 15.68 S ATOM 442 CE MET A 27 16.988 22.858 6.594 1.00 17.40 C ATOM 443 HA MET A 27 16.652 25.645 8.560 1.00 0.00 H ATOM 444 HB2 MET A 27 18.227 27.006 6.339 1.00 0.00 H ATOM 445 HB3 MET A 27 18.610 25.351 6.867 1.00 0.00 H ATOM 446 HG2 MET A 27 17.239 25.171 4.936 1.00 0.00 H ATOM 447 HG3 MET A 27 16.075 26.360 5.565 1.00 0.00 H ATOM 448 HE1 MET A 27 17.324 22.653 5.578 1.00 0.00 H ATOM 449 HE2 MET A 27 17.839 23.158 7.206 1.00 0.00 H ATOM 450 HE3 MET A 27 16.534 21.962 7.016 1.00 0.00 H ATOM 451 H MET A 27 16.471 28.217 7.299 1.00 0.00 H ATOM 452 N GLN A 28 18.894 27.683 9.561 1.00 18.32 N ATOM 453 CA GLN A 28 20.027 27.802 10.480 1.00 19.75 C ATOM 454 C GLN A 28 19.729 27.152 11.825 1.00 16.75 C ATOM 455 O GLN A 28 20.621 26.610 12.481 1.00 18.74 O ATOM 456 CB GLN A 28 20.392 29.273 10.687 1.00 21.20 C ATOM 457 CG GLN A 28 20.857 29.960 9.419 1.00 24.38 C ATOM 458 CD GLN A 28 21.270 31.398 9.654 1.00 28.70 C ATOM 459 OE1 GLN A 28 20.485 32.212 10.145 1.00 29.12 O ATOM 460 NE2 GLN A 28 22.508 31.719 9.300 1.00 32.05 N ATOM 461 HA GLN A 28 20.870 27.279 10.030 1.00 0.00 H ATOM 462 HB2 GLN A 28 19.514 29.798 11.063 1.00 0.00 H ATOM 463 HB3 GLN A 28 21.192 29.331 11.425 1.00 0.00 H ATOM 464 HG2 GLN A 28 21.710 29.413 9.018 1.00 0.00 H ATOM 465 HG3 GLN A 28 20.043 29.944 8.694 1.00 0.00 H ATOM 466 HE22 GLN A 28 23.135 30.998 8.889 1.00 0.00 H ATOM 467 HE21 GLN A 28 22.851 32.692 9.433 1.00 0.00 H ATOM 468 H GLN A 28 18.402 28.537 9.229 1.00 0.00 H ATOM 469 N VAL A 29 18.472 27.215 12.239 1.00 16.50 N ATOM 470 CA VAL A 29 18.059 26.629 13.504 1.00 15.16 C ATOM 471 C VAL A 29 18.249 25.119 13.427 1.00 13.76 C ATOM 472 O VAL A 29 18.883 24.515 14.292 1.00 14.95 O ATOM 473 CB VAL A 29 16.576 26.951 13.796 1.00 14.36 C ATOM 474 CG1 VAL A 29 16.085 26.160 14.998 1.00 14.59 C ATOM 475 CG2 VAL A 29 16.417 28.439 14.051 1.00 15.53 C ATOM 476 HA VAL A 29 18.665 27.046 14.308 1.00 0.00 H ATOM 477 HB VAL A 29 15.978 26.668 12.930 1.00 0.00 H ATOM 478 HG11 VAL A 29 16.183 25.094 14.794 1.00 0.00 H ATOM 479 HG12 VAL A 29 16.683 26.420 15.871 1.00 0.00 H ATOM 480 HG13 VAL A 29 15.039 26.401 15.187 1.00 0.00 H ATOM 481 HG21 VAL A 29 17.026 28.727 14.908 1.00 0.00 H ATOM 482 HG22 VAL A 29 16.742 28.994 13.171 1.00 0.00 H ATOM 483 HG23 VAL A 29 15.370 28.661 14.256 1.00 0.00 H ATOM 484 H VAL A 29 17.765 27.694 11.646 1.00 0.00 H ATOM 485 N ILE A 30 17.710 24.517 12.374 1.00 13.13 N ATOM 486 CA ILE A 30 17.814 23.079 12.181 1.00 15.35 C ATOM 487 C ILE A 30 19.262 22.630 12.022 1.00 15.92 C ATOM 488 O ILE A 30 19.682 21.635 12.616 1.00 17.01 O ATOM 489 CB ILE A 30 17.030 22.619 10.924 1.00 15.48 C ATOM 490 CG1 ILE A 30 15.526 22.802 11.152 1.00 16.04 C ATOM 491 CG2 ILE A 30 17.372 21.164 10.605 1.00 14.02 C ATOM 492 CD1 ILE A 30 14.660 22.366 9.980 1.00 14.31 C ATOM 493 HA ILE A 30 17.387 22.624 13.075 1.00 0.00 H ATOM 494 HB ILE A 30 17.318 23.230 10.069 1.00 0.00 H ATOM 495 HG12 ILE A 30 15.239 22.217 12.026 1.00 0.00 H ATOM 496 HG13 ILE A 30 15.335 23.858 11.344 1.00 0.00 H ATOM 497 HD11 ILE A 30 14.924 22.950 9.098 1.00 0.00 H ATOM 498 HD12 ILE A 30 14.827 21.308 9.780 1.00 0.00 H ATOM 499 HD13 ILE A 30 13.610 22.529 10.225 1.00 0.00 H ATOM 500 HG21 ILE A 30 18.442 21.077 10.415 1.00 0.00 H ATOM 501 HG22 ILE A 30 17.099 20.534 11.452 1.00 0.00 H ATOM 502 HG23 ILE A 30 16.818 20.847 9.721 1.00 0.00 H ATOM 503 H ILE A 30 17.201 25.088 11.669 1.00 0.00 H ATOM 504 N ASN A 31 20.017 23.366 11.217 1.00 15.51 N ATOM 505 CA ASN A 31 21.408 23.024 10.959 1.00 17.21 C ATOM 506 C ASN A 31 22.322 23.195 12.164 1.00 17.52 C ATOM 507 O ASN A 31 23.265 22.420 12.337 1.00 16.86 O ATOM 508 CB ASN A 31 21.932 23.838 9.779 1.00 17.58 C ATOM 509 CG ASN A 31 21.172 23.545 8.505 1.00 19.87 C ATOM 510 OD1 ASN A 31 20.505 22.510 8.396 1.00 18.34 O ATOM 511 ND2 ASN A 31 21.275 24.443 7.526 1.00 18.44 N ATOM 512 HA ASN A 31 21.422 21.960 10.722 1.00 0.00 H ATOM 513 HB2 ASN A 31 21.834 24.898 10.012 1.00 0.00 H ATOM 514 HB3 ASN A 31 22.984 23.597 9.625 1.00 0.00 H ATOM 515 HD22 ASN A 31 21.848 25.300 7.664 1.00 0.00 H ATOM 516 HD21 ASN A 31 20.782 24.287 6.624 1.00 0.00 H ATOM 517 H ASN A 31 19.606 24.205 10.760 1.00 0.00 H ATOM 518 N ASN A 32 22.044 24.196 12.995 1.00 18.00 N ATOM 519 CA ASN A 32 22.854 24.419 14.181 1.00 18.05 C ATOM 520 C ASN A 32 22.596 23.325 15.210 1.00 18.72 C ATOM 521 O ASN A 32 23.478 22.996 16.006 1.00 18.52 O ATOM 522 CB ASN A 32 22.579 25.797 14.788 1.00 18.81 C ATOM 523 CG ASN A 32 23.265 26.914 14.027 1.00 22.71 C ATOM 524 OD1 ASN A 32 24.325 26.709 13.431 1.00 25.59 O ATOM 525 ND2 ASN A 32 22.678 28.108 14.057 1.00 23.15 N ATOM 526 HA ASN A 32 23.903 24.386 13.885 1.00 0.00 H ATOM 527 HB2 ASN A 32 21.504 25.976 14.778 1.00 0.00 H ATOM 528 HB3 ASN A 32 22.937 25.804 15.817 1.00 0.00 H ATOM 529 HD22 ASN A 32 21.784 28.235 14.573 1.00 0.00 H ATOM 530 HD21 ASN A 32 23.114 28.914 13.565 1.00 0.00 H ATOM 531 H ASN A 32 21.240 24.824 12.794 1.00 0.00 H ATOM 532 N TYR A 33 21.395 22.753 15.187 1.00 17.98 N ATOM 533 CA TYR A 33 21.063 21.676 16.110 1.00 19.12 C ATOM 534 C TYR A 33 21.590 20.330 15.613 1.00 19.88 C ATOM 535 O TYR A 33 22.007 19.495 16.411 1.00 21.03 O ATOM 536 CB TYR A 33 19.547 21.582 16.328 1.00 17.18 C ATOM 537 CG TYR A 33 19.002 22.553 17.357 1.00 14.79 C ATOM 538 CD1 TYR A 33 19.578 22.645 18.625 1.00 16.30 C ATOM 539 CD2 TYR A 33 17.890 23.349 17.079 1.00 14.93 C ATOM 540 CE1 TYR A 33 19.062 23.499 19.593 1.00 15.72 C ATOM 541 CE2 TYR A 33 17.359 24.214 18.043 1.00 13.89 C ATOM 542 CZ TYR A 33 17.951 24.282 19.299 1.00 17.02 C ATOM 543 OH TYR A 33 17.442 25.119 20.270 1.00 18.20 O ATOM 544 HA TYR A 33 21.545 21.911 17.059 1.00 0.00 H ATOM 545 HB3 TYR A 33 19.311 20.569 16.656 1.00 0.00 H ATOM 546 HB2 TYR A 33 19.052 21.779 15.377 1.00 0.00 H ATOM 547 HD2 TYR A 33 17.427 23.296 16.094 1.00 0.00 H ATOM 548 HE2 TYR A 33 16.489 24.829 17.811 1.00 0.00 H ATOM 549 HE1 TYR A 33 19.526 23.555 20.578 1.00 0.00 H ATOM 550 HD1 TYR A 33 20.450 22.035 18.861 1.00 0.00 H ATOM 551 HH TYR A 33 17.986 25.037 21.093 1.00 0.00 H ATOM 552 H TYR A 33 20.684 23.079 14.501 1.00 0.00 H ATOM 553 N GLN A 34 21.573 20.123 14.299 1.00 20.28 N ATOM 554 CA GLN A 34 22.041 18.866 13.713 1.00 22.97 C ATOM 555 C GLN A 34 23.530 18.854 13.393 1.00 23.20 C ATOM 556 O GLN A 34 24.082 17.813 13.039 1.00 24.86 O ATOM 557 CB GLN A 34 21.264 18.547 12.433 1.00 22.55 C ATOM 558 CG GLN A 34 19.888 17.972 12.656 1.00 28.07 C ATOM 559 CD GLN A 34 19.226 17.538 11.358 1.00 30.27 C ATOM 560 OE1 GLN A 34 18.222 16.824 11.365 1.00 33.46 O ATOM 561 NE2 GLN A 34 19.783 17.975 10.237 1.00 33.22 N ATOM 562 HA GLN A 34 21.863 18.107 14.475 1.00 0.00 H ATOM 563 HB2 GLN A 34 21.158 19.469 11.861 1.00 0.00 H ATOM 564 HB3 GLN A 34 21.843 17.827 11.855 1.00 0.00 H ATOM 565 HG2 GLN A 34 19.972 17.107 13.313 1.00 0.00 H ATOM 566 HG3 GLN A 34 19.264 18.729 13.132 1.00 0.00 H ATOM 567 HE22 GLN A 34 20.631 18.576 10.278 1.00 0.00 H ATOM 568 HE21 GLN A 34 19.372 17.717 9.317 1.00 0.00 H ATOM 569 H GLN A 34 21.218 20.873 13.672 1.00 0.00 H ATOM 570 N ARG A 35 24.165 20.013 13.508 1.00 24.02 N ATOM 571 CA ARG A 35 25.591 20.167 13.234 1.00 25.77 C ATOM 572 C ARG A 35 25.977 19.803 11.807 1.00 27.79 C ATOM 573 O ARG A 35 27.001 19.161 11.568 1.00 28.83 O ATOM 574 CB ARG A 35 26.423 19.350 14.233 1.00 24.87 C ATOM 575 CG ARG A 35 26.140 19.701 15.690 1.00 22.61 C ATOM 576 CD ARG A 35 26.051 21.212 15.903 1.00 23.21 C ATOM 577 NE ARG A 35 27.304 21.903 15.602 1.00 22.83 N ATOM 578 CZ ARG A 35 27.419 23.224 15.479 1.00 23.61 C ATOM 579 NH1 ARG A 35 26.356 24.003 15.625 1.00 21.35 N ATOM 580 NH2 ARG A 35 28.599 23.769 15.217 1.00 22.13 N ATOM 581 HA ARG A 35 25.810 21.228 13.354 1.00 0.00 H ATOM 582 HB2 ARG A 35 26.202 18.293 14.083 1.00 0.00 H ATOM 583 HB3 ARG A 35 27.479 19.531 14.033 1.00 0.00 H ATOM 584 HG2 ARG A 35 25.194 19.246 15.985 1.00 0.00 H ATOM 585 HG3 ARG A 35 26.943 19.303 16.311 1.00 0.00 H ATOM 586 HD2 ARG A 35 25.790 21.402 16.944 1.00 0.00 H ATOM 587 HD3 ARG A 35 25.270 21.610 15.255 1.00 0.00 H ATOM 588 HE ARG A 35 28.160 21.326 15.476 1.00 0.00 H ATOM 589 HH12 ARG A 35 26.450 25.034 15.528 1.00 0.00 H ATOM 590 HH11 ARG A 35 25.428 23.583 15.836 1.00 0.00 H ATOM 591 HH22 ARG A 35 28.685 24.801 15.122 1.00 0.00 H ATOM 592 HH21 ARG A 35 29.438 23.164 15.107 1.00 0.00 H ATOM 593 H ARG A 35 23.623 20.849 13.807 1.00 0.00 H ATOM 594 N ARG A 36 25.139 20.220 10.863 1.00 28.43 N ATOM 595 CA ARG A 36 25.369 20.000 9.441 1.00 28.30 C ATOM 596 C ARG A 36 24.221 20.671 8.698 1.00 28.17 C ATOM 597 O ARG A 36 23.177 20.956 9.287 1.00 27.39 O ATOM 598 CB ARG A 36 25.426 18.501 9.108 1.00 30.37 C ATOM 599 CG ARG A 36 24.141 17.896 8.561 1.00 33.67 C ATOM 600 CD ARG A 36 23.097 17.702 9.637 1.00 37.67 C ATOM 601 NE ARG A 36 21.831 17.210 9.092 1.00 39.95 N ATOM 602 CZ ARG A 36 21.669 16.036 8.490 1.00 41.92 C ATOM 603 NH1 ARG A 36 20.473 15.687 8.032 1.00 42.33 N ATOM 604 NH2 ARG A 36 22.697 15.209 8.345 1.00 43.23 N ATOM 605 HA ARG A 36 26.329 20.422 9.143 1.00 0.00 H ATOM 606 HB2 ARG A 36 26.209 18.353 8.365 1.00 0.00 H ATOM 607 HB3 ARG A 36 25.687 17.965 10.020 1.00 0.00 H ATOM 608 HG2 ARG A 36 23.738 18.560 7.796 1.00 0.00 H ATOM 609 HG3 ARG A 36 24.370 16.928 8.116 1.00 0.00 H ATOM 610 HD2 ARG A 36 22.920 18.657 10.132 1.00 0.00 H ATOM 611 HD3 ARG A 36 23.471 16.981 10.364 1.00 0.00 H ATOM 612 HE ARG A 36 20.997 17.824 9.182 1.00 0.00 H ATOM 613 HH12 ARG A 36 20.344 14.769 7.561 1.00 0.00 H ATOM 614 HH11 ARG A 36 19.665 16.332 8.144 1.00 0.00 H ATOM 615 HH22 ARG A 36 22.564 14.292 7.873 1.00 0.00 H ATOM 616 HH21 ARG A 36 23.635 15.478 8.703 1.00 0.00 H ATOM 617 H ARG A 36 24.279 20.727 11.153 1.00 0.00 H ATOM 618 N CYS A 37 24.412 20.945 7.414 1.00 26.67 N ATOM 619 CA CYS A 37 23.361 21.583 6.641 1.00 25.57 C ATOM 620 C CYS A 37 22.485 20.545 5.960 1.00 25.74 C ATOM 621 O CYS A 37 22.915 19.861 5.031 1.00 26.06 O ATOM 622 CB CYS A 37 23.969 22.536 5.616 1.00 25.15 C ATOM 623 SG CYS A 37 24.912 23.880 6.403 1.00 26.21 S ATOM 624 HA CYS A 37 22.731 22.158 7.320 1.00 0.00 H ATOM 625 HB2 CYS A 37 23.166 22.971 5.021 1.00 0.00 H ATOM 626 HB3 CYS A 37 24.637 21.972 4.965 1.00 0.00 H ATOM 627 H CYS A 37 25.316 20.703 6.960 1.00 0.00 H ATOM 628 N LYS A 38 21.255 20.429 6.450 1.00 24.15 N ATOM 629 CA LYS A 38 20.280 19.484 5.919 1.00 23.16 C ATOM 630 C LYS A 38 20.025 19.822 4.449 1.00 22.29 C ATOM 631 O LYS A 38 19.726 20.967 4.115 1.00 22.48 O ATOM 632 CB LYS A 38 18.989 19.589 6.734 1.00 21.68 C ATOM 633 CG LYS A 38 18.051 18.409 6.609 1.00 20.62 C ATOM 634 CD LYS A 38 16.848 18.583 7.537 1.00 19.94 C ATOM 635 CE LYS A 38 15.893 17.402 7.437 1.00 18.48 C ATOM 636 NZ LYS A 38 14.669 17.611 8.250 1.00 18.65 N ATOM 637 HA LYS A 38 20.652 18.462 5.989 1.00 0.00 H ATOM 638 HB2 LYS A 38 19.261 19.695 7.784 1.00 0.00 H ATOM 639 HB3 LYS A 38 18.455 20.481 6.407 1.00 0.00 H ATOM 640 HG2 LYS A 38 17.702 18.335 5.579 1.00 0.00 H ATOM 641 HG3 LYS A 38 18.583 17.497 6.878 1.00 0.00 H ATOM 642 HD2 LYS A 38 17.202 18.667 8.565 1.00 0.00 H ATOM 643 HD3 LYS A 38 16.316 19.494 7.261 1.00 0.00 H ATOM 644 HE2 LYS A 38 16.402 16.505 7.790 1.00 0.00 H ATOM 645 HE3 LYS A 38 15.605 17.268 6.394 1.00 0.00 H ATOM 646 HZ1 LYS A 38 14.934 17.733 9.248 1.00 0.00 H ATOM 647 HZ2 LYS A 38 14.173 18.462 7.915 1.00 0.00 H ATOM 648 HZ3 LYS A 38 14.045 16.784 8.154 1.00 0.00 H ATOM 649 H LYS A 38 20.976 21.038 7.246 1.00 0.00 H ATOM 650 N ASN A 39 20.138 18.823 3.579 1.00 21.22 N ATOM 651 CA ASN A 39 19.963 19.023 2.143 1.00 20.66 C ATOM 652 C ASN A 39 18.616 19.615 1.740 1.00 20.44 C ATOM 653 O ASN A 39 18.533 20.411 0.800 1.00 19.74 O ATOM 654 CB ASN A 39 20.174 17.713 1.396 1.00 21.95 C ATOM 655 CG ASN A 39 20.350 17.928 -0.083 1.00 22.90 C ATOM 656 OD1 ASN A 39 19.722 17.261 -0.905 1.00 26.25 O ATOM 657 ND2 ASN A 39 21.213 18.872 -0.435 1.00 21.58 N ATOM 658 HA ASN A 39 20.718 19.759 1.867 1.00 0.00 H ATOM 659 HB2 ASN A 39 21.065 17.223 1.789 1.00 0.00 H ATOM 660 HB3 ASN A 39 19.307 17.072 1.558 1.00 0.00 H ATOM 661 HD22 ASN A 39 21.721 19.411 0.295 1.00 0.00 H ATOM 662 HD21 ASN A 39 21.381 19.074 -1.441 1.00 0.00 H ATOM 663 H ASN A 39 20.358 17.870 3.932 1.00 0.00 H ATOM 664 N GLN A 40 17.558 19.195 2.423 1.00 19.69 N ATOM 665 CA GLN A 40 16.232 19.729 2.164 1.00 19.19 C ATOM 666 C GLN A 40 15.322 19.488 3.355 1.00 18.45 C ATOM 667 O GLN A 40 15.521 18.557 4.137 1.00 17.01 O ATOM 668 CB GLN A 40 15.628 19.157 0.880 1.00 22.26 C ATOM 669 CG GLN A 40 15.387 17.673 0.829 1.00 23.47 C ATOM 670 CD GLN A 40 14.993 17.241 -0.579 1.00 29.04 C ATOM 671 OE1 GLN A 40 14.045 17.780 -1.165 1.00 28.88 O ATOM 672 NE2 GLN A 40 15.724 16.275 -1.131 1.00 28.95 N ATOM 673 HA GLN A 40 16.329 20.805 2.016 1.00 0.00 H ATOM 674 HB2 GLN A 40 14.669 19.650 0.722 1.00 0.00 H ATOM 675 HB3 GLN A 40 16.303 19.407 0.061 1.00 0.00 H ATOM 676 HG2 GLN A 40 16.298 17.152 1.122 1.00 0.00 H ATOM 677 HG3 GLN A 40 14.585 17.416 1.520 1.00 0.00 H ATOM 678 HE22 GLN A 40 16.512 15.851 -0.600 1.00 0.00 H ATOM 679 HE21 GLN A 40 15.507 15.944 -2.093 1.00 0.00 H ATOM 680 H GLN A 40 17.681 18.469 3.158 1.00 0.00 H ATOM 681 N ASN A 41 14.326 20.349 3.497 1.00 17.56 N ATOM 682 CA ASN A 41 13.422 20.264 4.625 1.00 17.10 C ATOM 683 C ASN A 41 12.125 21.001 4.328 1.00 17.10 C ATOM 684 O ASN A 41 12.139 22.079 3.737 1.00 16.71 O ATOM 685 CB ASN A 41 14.094 20.890 5.840 1.00 16.19 C ATOM 686 CG ASN A 41 13.233 20.825 7.067 1.00 19.17 C ATOM 687 OD1 ASN A 41 13.053 19.755 7.654 1.00 17.07 O ATOM 688 ND2 ASN A 41 12.678 21.970 7.463 1.00 17.38 N ATOM 689 HA ASN A 41 13.189 19.217 4.819 1.00 0.00 H ATOM 690 HB2 ASN A 41 15.026 20.359 6.037 1.00 0.00 H ATOM 691 HB3 ASN A 41 14.312 21.935 5.620 1.00 0.00 H ATOM 692 HD22 ASN A 41 12.861 22.847 6.934 1.00 0.00 H ATOM 693 HD21 ASN A 41 12.062 21.987 8.301 1.00 0.00 H ATOM 694 H ASN A 41 14.191 21.098 2.788 1.00 0.00 H ATOM 695 N THR A 42 11.013 20.419 4.759 1.00 15.90 N ATOM 696 CA THR A 42 9.704 21.011 4.535 1.00 16.00 C ATOM 697 C THR A 42 9.101 21.639 5.787 1.00 15.48 C ATOM 698 O THR A 42 9.053 21.019 6.844 1.00 15.79 O ATOM 699 CB THR A 42 8.708 19.955 4.009 1.00 16.66 C ATOM 700 OG1 THR A 42 9.181 19.433 2.762 1.00 16.85 O ATOM 701 CG2 THR A 42 7.327 20.574 3.809 1.00 14.70 C ATOM 702 HA THR A 42 9.867 21.799 3.799 1.00 0.00 H ATOM 703 HB THR A 42 8.630 19.152 4.741 1.00 0.00 H ATOM 704 HG1 THR A 42 9.259 20.170 2.106 1.00 0.00 H ATOM 705 HG23 THR A 42 6.967 20.971 4.758 1.00 0.00 H ATOM 706 HG21 THR A 42 7.394 21.380 3.078 1.00 0.00 H ATOM 707 HG22 THR A 42 6.637 19.811 3.448 1.00 0.00 H ATOM 708 H THR A 42 11.080 19.516 5.270 1.00 0.00 H ATOM 709 N PHE A 43 8.649 22.879 5.658 1.00 15.48 N ATOM 710 CA PHE A 43 7.999 23.575 6.757 1.00 15.48 C ATOM 711 C PHE A 43 6.520 23.646 6.408 1.00 16.04 C ATOM 712 O PHE A 43 6.142 24.252 5.408 1.00 17.49 O ATOM 713 CB PHE A 43 8.551 24.995 6.910 1.00 14.78 C ATOM 714 CG PHE A 43 9.895 25.062 7.586 1.00 13.31 C ATOM 715 CD1 PHE A 43 10.007 24.891 8.962 1.00 13.67 C ATOM 716 CD2 PHE A 43 11.045 25.334 6.848 1.00 12.65 C ATOM 717 CE1 PHE A 43 11.247 24.994 9.603 1.00 12.31 C ATOM 718 CE2 PHE A 43 12.288 25.441 7.473 1.00 13.26 C ATOM 719 CZ PHE A 43 12.393 25.272 8.851 1.00 11.17 C ATOM 720 HA PHE A 43 8.174 23.050 7.696 1.00 0.00 H ATOM 721 HB2 PHE A 43 8.644 25.435 5.917 1.00 0.00 H ATOM 722 HB3 PHE A 43 7.842 25.577 7.499 1.00 0.00 H ATOM 723 HD2 PHE A 43 10.973 25.465 5.768 1.00 0.00 H ATOM 724 HE2 PHE A 43 13.178 25.657 6.882 1.00 0.00 H ATOM 725 HZ PHE A 43 13.363 25.356 9.341 1.00 0.00 H ATOM 726 HE1 PHE A 43 11.319 24.858 10.682 1.00 0.00 H ATOM 727 HD1 PHE A 43 9.115 24.673 9.550 1.00 0.00 H ATOM 728 H PHE A 43 8.762 23.367 4.746 1.00 0.00 H ATOM 729 N LEU A 44 5.683 23.012 7.218 1.00 16.84 N ATOM 730 CA LEU A 44 4.246 23.030 6.976 1.00 16.30 C ATOM 731 C LEU A 44 3.670 24.276 7.631 1.00 16.75 C ATOM 732 O LEU A 44 3.836 24.481 8.837 1.00 16.60 O ATOM 733 CB LEU A 44 3.587 21.790 7.584 1.00 16.51 C ATOM 734 CG LEU A 44 4.080 20.422 7.110 1.00 16.46 C ATOM 735 CD1 LEU A 44 3.384 19.321 7.906 1.00 17.28 C ATOM 736 CD2 LEU A 44 3.798 20.267 5.626 1.00 16.23 C ATOM 737 HA LEU A 44 4.055 23.034 5.903 1.00 0.00 H ATOM 738 HB2 LEU A 44 3.738 21.836 8.663 1.00 0.00 H ATOM 739 HB3 LEU A 44 2.521 21.847 7.365 1.00 0.00 H ATOM 740 HG LEU A 44 5.155 20.343 7.273 1.00 0.00 H ATOM 741 HD21 LEU A 44 2.725 20.347 5.451 1.00 0.00 H ATOM 742 HD22 LEU A 44 4.317 21.051 5.075 1.00 0.00 H ATOM 743 HD23 LEU A 44 4.150 19.292 5.290 1.00 0.00 H ATOM 744 HD11 LEU A 44 3.612 19.441 8.965 1.00 0.00 H ATOM 745 HD12 LEU A 44 2.307 19.390 7.754 1.00 0.00 H ATOM 746 HD13 LEU A 44 3.738 18.348 7.565 1.00 0.00 H ATOM 747 H LEU A 44 6.058 22.494 8.038 1.00 0.00 H ATOM 748 N LEU A 45 3.002 25.114 6.845 1.00 16.74 N ATOM 749 CA LEU A 45 2.415 26.323 7.400 1.00 17.50 C ATOM 750 C LEU A 45 1.062 26.005 8.006 1.00 17.53 C ATOM 751 O LEU A 45 0.020 26.376 7.468 1.00 17.00 O ATOM 752 CB LEU A 45 2.263 27.408 6.327 1.00 20.12 C ATOM 753 CG LEU A 45 3.550 27.941 5.689 1.00 21.82 C ATOM 754 CD1 LEU A 45 3.221 29.156 4.833 1.00 22.71 C ATOM 755 CD2 LEU A 45 4.550 28.319 6.773 1.00 24.46 C ATOM 756 HA LEU A 45 3.082 26.702 8.174 1.00 0.00 H ATOM 757 HB2 LEU A 45 1.646 26.997 5.528 1.00 0.00 H ATOM 758 HB3 LEU A 45 1.748 28.253 6.784 1.00 0.00 H ATOM 759 HG LEU A 45 3.992 27.167 5.062 1.00 0.00 H ATOM 760 HD21 LEU A 45 4.119 29.091 7.410 1.00 0.00 H ATOM 761 HD22 LEU A 45 4.784 27.439 7.373 1.00 0.00 H ATOM 762 HD23 LEU A 45 5.461 28.697 6.309 1.00 0.00 H ATOM 763 HD11 LEU A 45 2.517 28.869 4.052 1.00 0.00 H ATOM 764 HD12 LEU A 45 2.775 29.930 5.458 1.00 0.00 H ATOM 765 HD13 LEU A 45 4.135 29.537 4.378 1.00 0.00 H ATOM 766 H LEU A 45 2.899 24.905 5.831 1.00 0.00 H ATOM 767 N THR A 46 1.086 25.298 9.128 1.00 16.76 N ATOM 768 CA THR A 46 -0.137 24.935 9.824 1.00 16.96 C ATOM 769 C THR A 46 0.220 24.922 11.309 1.00 17.22 C ATOM 770 O THR A 46 1.379 25.146 11.663 1.00 18.51 O ATOM 771 CB THR A 46 -0.647 23.554 9.349 1.00 17.55 C ATOM 772 OG1 THR A 46 -1.980 23.345 9.827 1.00 17.59 O ATOM 773 CG2 THR A 46 0.270 22.435 9.851 1.00 16.12 C ATOM 774 HA THR A 46 -0.944 25.640 9.622 1.00 0.00 H ATOM 775 HB THR A 46 -0.644 23.536 8.259 1.00 0.00 H ATOM 776 HG1 THR A 46 -2.572 24.055 9.472 1.00 0.00 H ATOM 777 HG23 THR A 46 1.282 22.603 9.482 1.00 0.00 H ATOM 778 HG21 THR A 46 0.275 22.433 10.941 1.00 0.00 H ATOM 779 HG22 THR A 46 -0.096 21.475 9.486 1.00 0.00 H ATOM 780 H THR A 46 2.001 24.996 9.519 1.00 0.00 H ATOM 781 N THR A 47 -0.754 24.687 12.182 1.00 17.02 N ATOM 782 CA THR A 47 -0.467 24.677 13.613 1.00 16.41 C ATOM 783 C THR A 47 -0.124 23.285 14.131 1.00 17.35 C ATOM 784 O THR A 47 -0.438 22.281 13.492 1.00 17.31 O ATOM 785 CB THR A 47 -1.656 25.224 14.435 1.00 17.59 C ATOM 786 OG1 THR A 47 -2.770 24.326 14.340 1.00 15.88 O ATOM 787 CG2 THR A 47 -2.072 26.592 13.912 1.00 19.46 C ATOM 788 HA THR A 47 0.401 25.324 13.740 1.00 0.00 H ATOM 789 HB THR A 47 -1.346 25.314 15.476 1.00 0.00 H ATOM 790 HG1 THR A 47 -3.527 24.684 14.869 1.00 0.00 H ATOM 791 HG23 THR A 47 -1.228 27.278 13.982 1.00 0.00 H ATOM 792 HG21 THR A 47 -2.383 26.502 12.871 1.00 0.00 H ATOM 793 HG22 THR A 47 -2.901 26.971 14.509 1.00 0.00 H ATOM 794 H THR A 47 -1.722 24.510 11.845 1.00 0.00 H ATOM 795 N PHE A 48 0.532 23.230 15.288 1.00 16.55 N ATOM 796 CA PHE A 48 0.888 21.949 15.887 1.00 16.96 C ATOM 797 C PHE A 48 -0.417 21.229 16.225 1.00 15.51 C ATOM 798 O PHE A 48 -0.543 20.020 16.027 1.00 16.07 O ATOM 799 CB PHE A 48 1.710 22.157 17.165 1.00 15.93 C ATOM 800 CG PHE A 48 2.286 20.887 17.733 1.00 17.17 C ATOM 801 CD1 PHE A 48 3.409 20.301 17.160 1.00 15.54 C ATOM 802 CD2 PHE A 48 1.701 20.276 18.839 1.00 16.76 C ATOM 803 CE1 PHE A 48 3.948 19.122 17.679 1.00 18.67 C ATOM 804 CE2 PHE A 48 2.227 19.099 19.369 1.00 17.88 C ATOM 805 CZ PHE A 48 3.354 18.518 18.789 1.00 18.74 C ATOM 806 HA PHE A 48 1.493 21.364 15.194 1.00 0.00 H ATOM 807 HB2 PHE A 48 2.532 22.836 16.938 1.00 0.00 H ATOM 808 HB3 PHE A 48 1.065 22.609 17.919 1.00 0.00 H ATOM 809 HD2 PHE A 48 0.819 20.724 19.297 1.00 0.00 H ATOM 810 HE2 PHE A 48 1.758 18.633 20.236 1.00 0.00 H ATOM 811 HZ PHE A 48 3.769 17.598 19.200 1.00 0.00 H ATOM 812 HE1 PHE A 48 4.829 18.675 17.219 1.00 0.00 H ATOM 813 HD1 PHE A 48 3.876 20.769 16.293 1.00 0.00 H ATOM 814 H PHE A 48 0.794 24.113 15.771 1.00 0.00 H ATOM 815 N ALA A 49 -1.392 21.980 16.729 1.00 16.24 N ATOM 816 CA ALA A 49 -2.689 21.403 17.082 1.00 16.86 C ATOM 817 C ALA A 49 -3.349 20.745 15.863 1.00 17.20 C ATOM 818 O ALA A 49 -3.945 19.667 15.973 1.00 17.97 O ATOM 819 CB ALA A 49 -3.608 22.481 17.663 1.00 15.47 C ATOM 820 HA ALA A 49 -2.524 20.633 17.836 1.00 0.00 H ATOM 821 HB1 ALA A 49 -3.150 22.904 18.557 1.00 0.00 H ATOM 822 HB2 ALA A 49 -3.757 23.267 16.923 1.00 0.00 H ATOM 823 HB3 ALA A 49 -4.569 22.037 17.921 1.00 0.00 H ATOM 824 H ALA A 49 -1.229 22.997 16.875 1.00 0.00 H ATOM 825 N ASN A 50 -3.249 21.392 14.705 1.00 16.81 N ATOM 826 CA ASN A 50 -3.832 20.840 13.483 1.00 15.75 C ATOM 827 C ASN A 50 -3.182 19.508 13.125 1.00 16.05 C ATOM 828 O ASN A 50 -3.855 18.590 12.655 1.00 15.74 O ATOM 829 CB ASN A 50 -3.663 21.807 12.306 1.00 16.87 C ATOM 830 CG ASN A 50 -4.565 23.022 12.410 1.00 17.42 C ATOM 831 OD1 ASN A 50 -5.437 23.089 13.271 1.00 18.07 O ATOM 832 ND2 ASN A 50 -4.363 23.985 11.522 1.00 17.10 N ATOM 833 HA ASN A 50 -4.894 20.687 13.673 1.00 0.00 H ATOM 834 HB2 ASN A 50 -2.627 22.144 12.277 1.00 0.00 H ATOM 835 HB3 ASN A 50 -3.897 21.277 11.383 1.00 0.00 H ATOM 836 HD22 ASN A 50 -3.612 23.886 10.809 1.00 0.00 H ATOM 837 HD21 ASN A 50 -4.956 24.840 11.538 1.00 0.00 H ATOM 838 H ASN A 50 -2.749 22.303 14.668 1.00 0.00 H ATOM 839 N VAL A 51 -1.872 19.405 13.333 1.00 15.48 N ATOM 840 CA VAL A 51 -1.170 18.165 13.014 1.00 14.96 C ATOM 841 C VAL A 51 -1.573 17.087 14.012 1.00 14.47 C ATOM 842 O VAL A 51 -1.791 15.929 13.646 1.00 13.62 O ATOM 843 CB VAL A 51 0.364 18.342 13.056 1.00 14.32 C ATOM 844 CG1 VAL A 51 1.032 17.059 12.581 1.00 12.63 C ATOM 845 CG2 VAL A 51 0.784 19.516 12.177 1.00 13.78 C ATOM 846 HA VAL A 51 -1.449 17.877 12.000 1.00 0.00 H ATOM 847 HB VAL A 51 0.676 18.552 14.079 1.00 0.00 H ATOM 848 HG11 VAL A 51 0.741 16.236 13.234 1.00 0.00 H ATOM 849 HG12 VAL A 51 0.717 16.843 11.560 1.00 0.00 H ATOM 850 HG13 VAL A 51 2.115 17.182 12.610 1.00 0.00 H ATOM 851 HG21 VAL A 51 0.474 19.328 11.149 1.00 0.00 H ATOM 852 HG22 VAL A 51 0.309 20.428 12.540 1.00 0.00 H ATOM 853 HG23 VAL A 51 1.867 19.628 12.217 1.00 0.00 H ATOM 854 H VAL A 51 -1.345 20.212 13.725 1.00 0.00 H ATOM 855 N VAL A 52 -1.670 17.466 15.280 1.00 13.96 N ATOM 856 CA VAL A 52 -2.080 16.521 16.306 1.00 16.63 C ATOM 857 C VAL A 52 -3.435 15.931 15.902 1.00 17.34 C ATOM 858 O VAL A 52 -3.654 14.723 16.008 1.00 15.63 O ATOM 859 CB VAL A 52 -2.185 17.213 17.684 1.00 16.09 C ATOM 860 CG1 VAL A 52 -2.942 16.329 18.669 1.00 18.50 C ATOM 861 CG2 VAL A 52 -0.783 17.500 18.215 1.00 17.89 C ATOM 862 HA VAL A 52 -1.336 15.730 16.392 1.00 0.00 H ATOM 863 HB VAL A 52 -2.731 18.149 17.570 1.00 0.00 H ATOM 864 HG11 VAL A 52 -3.946 16.141 18.289 1.00 0.00 H ATOM 865 HG12 VAL A 52 -2.414 15.383 18.786 1.00 0.00 H ATOM 866 HG13 VAL A 52 -3.006 16.833 19.633 1.00 0.00 H ATOM 867 HG21 VAL A 52 -0.236 16.563 18.318 1.00 0.00 H ATOM 868 HG22 VAL A 52 -0.258 18.153 17.518 1.00 0.00 H ATOM 869 HG23 VAL A 52 -0.857 17.988 19.187 1.00 0.00 H ATOM 870 H VAL A 52 -1.451 18.448 15.542 1.00 0.00 H ATOM 871 N ASN A 53 -4.341 16.777 15.420 1.00 16.63 N ATOM 872 CA ASN A 53 -5.645 16.277 15.009 1.00 18.92 C ATOM 873 C ASN A 53 -5.535 15.355 13.797 1.00 17.92 C ATOM 874 O ASN A 53 -6.308 14.408 13.660 1.00 16.27 O ATOM 875 CB ASN A 53 -6.610 17.439 14.740 1.00 21.41 C ATOM 876 CG ASN A 53 -7.179 18.020 16.030 1.00 27.03 C ATOM 877 OD1 ASN A 53 -7.733 17.290 16.860 1.00 29.02 O ATOM 878 ND2 ASN A 53 -7.039 19.327 16.210 1.00 28.67 N ATOM 879 HA ASN A 53 -6.049 15.684 15.829 1.00 0.00 H ATOM 880 HB2 ASN A 53 -6.075 18.224 14.206 1.00 0.00 H ATOM 881 HB3 ASN A 53 -7.433 17.078 14.123 1.00 0.00 H ATOM 882 HD22 ASN A 53 -6.566 19.904 15.485 1.00 0.00 H ATOM 883 HD21 ASN A 53 -7.402 19.775 17.076 1.00 0.00 H ATOM 884 H ASN A 53 -4.119 17.790 15.337 1.00 0.00 H ATOM 885 N VAL A 54 -4.565 15.615 12.925 1.00 16.52 N ATOM 886 CA VAL A 54 -4.383 14.758 11.763 1.00 15.99 C ATOM 887 C VAL A 54 -3.982 13.371 12.262 1.00 16.01 C ATOM 888 O VAL A 54 -4.297 12.355 11.637 1.00 16.18 O ATOM 889 CB VAL A 54 -3.296 15.314 10.805 1.00 14.28 C ATOM 890 CG1 VAL A 54 -2.872 14.240 9.808 1.00 14.79 C ATOM 891 CG2 VAL A 54 -3.845 16.519 10.052 1.00 11.20 C ATOM 892 HA VAL A 54 -5.314 14.714 11.198 1.00 0.00 H ATOM 893 HB VAL A 54 -2.429 15.614 11.393 1.00 0.00 H ATOM 894 HG11 VAL A 54 -2.468 13.384 10.348 1.00 0.00 H ATOM 895 HG12 VAL A 54 -3.737 13.927 9.223 1.00 0.00 H ATOM 896 HG13 VAL A 54 -2.109 14.644 9.143 1.00 0.00 H ATOM 897 HG21 VAL A 54 -4.718 16.217 9.473 1.00 0.00 H ATOM 898 HG22 VAL A 54 -4.130 17.293 10.765 1.00 0.00 H ATOM 899 HG23 VAL A 54 -3.079 16.906 9.381 1.00 0.00 H ATOM 900 H VAL A 54 -3.937 16.430 13.073 1.00 0.00 H ATOM 901 N CYS A 55 -3.289 13.325 13.396 1.00 15.25 N ATOM 902 CA CYS A 55 -2.890 12.042 13.966 1.00 16.13 C ATOM 903 C CYS A 55 -4.151 11.232 14.289 1.00 16.52 C ATOM 904 O CYS A 55 -4.105 10.002 14.408 1.00 14.22 O ATOM 905 CB CYS A 55 -2.086 12.240 15.252 1.00 15.78 C ATOM 906 SG CYS A 55 -0.394 12.904 15.072 1.00 15.99 S ATOM 907 HA CYS A 55 -2.266 11.517 13.243 1.00 0.00 H ATOM 908 HB2 CYS A 55 -2.009 11.271 15.746 1.00 0.00 H ATOM 909 HB3 CYS A 55 -2.644 12.927 15.888 1.00 0.00 H ATOM 910 H CYS A 55 -3.030 14.208 13.880 1.00 0.00 H ATOM 911 N GLY A 56 -5.273 11.937 14.419 1.00 15.18 N ATOM 912 CA GLY A 56 -6.534 11.289 14.738 1.00 15.94 C ATOM 913 C GLY A 56 -7.232 10.688 13.535 1.00 15.34 C ATOM 914 O GLY A 56 -8.205 9.940 13.681 1.00 13.31 O ATOM 915 HA3 GLY A 56 -7.197 12.028 15.187 1.00 0.00 H ATOM 916 HA2 GLY A 56 -6.340 10.493 15.457 1.00 0.00 H ATOM 917 H GLY A 56 -5.246 12.969 14.290 1.00 0.00 H ATOM 918 N ASN A 57 -6.749 11.016 12.342 1.00 13.97 N ATOM 919 CA ASN A 57 -7.349 10.473 11.131 1.00 16.34 C ATOM 920 C ASN A 57 -6.979 9.004 10.998 1.00 14.75 C ATOM 921 O ASN A 57 -6.093 8.516 11.702 1.00 15.75 O ATOM 922 CB ASN A 57 -6.892 11.264 9.905 1.00 14.45 C ATOM 923 CG ASN A 57 -7.463 12.666 9.885 1.00 16.97 C ATOM 924 OD1 ASN A 57 -8.508 12.931 10.489 1.00 15.54 O ATOM 925 ND2 ASN A 57 -6.798 13.568 9.177 1.00 13.83 N ATOM 926 HA ASN A 57 -8.434 10.559 11.197 1.00 0.00 H ATOM 927 HB2 ASN A 57 -5.804 11.328 9.913 1.00 0.00 H ATOM 928 HB3 ASN A 57 -7.217 10.739 9.007 1.00 0.00 H ATOM 929 HD22 ASN A 57 -5.922 13.300 8.685 1.00 0.00 H ATOM 930 HD21 ASN A 57 -7.152 14.544 9.114 1.00 0.00 H ATOM 931 H ASN A 57 -5.938 11.664 12.272 1.00 0.00 H ATOM 932 N PRO A 58 -7.658 8.274 10.103 1.00 16.25 N ATOM 933 CA PRO A 58 -7.382 6.848 9.904 1.00 16.62 C ATOM 934 C PRO A 58 -5.918 6.503 9.664 1.00 17.13 C ATOM 935 O PRO A 58 -5.201 7.240 8.990 1.00 17.14 O ATOM 936 CB PRO A 58 -8.264 6.495 8.710 1.00 16.82 C ATOM 937 CG PRO A 58 -9.451 7.380 8.922 1.00 16.88 C ATOM 938 CD PRO A 58 -8.796 8.702 9.270 1.00 17.87 C ATOM 939 HA PRO A 58 -7.600 6.272 10.804 1.00 0.00 H ATOM 940 HD3 PRO A 58 -8.457 9.224 8.375 1.00 0.00 H ATOM 941 HD2 PRO A 58 -9.476 9.346 9.829 1.00 0.00 H ATOM 942 HG3 PRO A 58 -10.075 7.019 9.740 1.00 0.00 H ATOM 943 HG2 PRO A 58 -10.052 7.461 8.017 1.00 0.00 H ATOM 944 HB2 PRO A 58 -7.764 6.722 7.768 1.00 0.00 H ATOM 945 HB3 PRO A 58 -8.547 5.443 8.725 1.00 0.00 H ATOM 946 N ASN A 59 -5.481 5.383 10.231 1.00 16.18 N ATOM 947 CA ASN A 59 -4.109 4.928 10.056 1.00 18.22 C ATOM 948 C ASN A 59 -3.929 4.410 8.642 1.00 18.60 C ATOM 949 O ASN A 59 -4.849 3.836 8.057 1.00 20.97 O ATOM 950 CB ASN A 59 -3.777 3.794 11.031 1.00 17.73 C ATOM 951 CG ASN A 59 -3.573 4.281 12.445 1.00 20.09 C ATOM 952 OD1 ASN A 59 -4.453 4.911 13.028 1.00 20.00 O ATOM 953 ND2 ASN A 59 -2.402 3.992 13.007 1.00 20.21 N ATOM 954 HA ASN A 59 -3.445 5.770 10.248 1.00 0.00 H ATOM 955 HB2 ASN A 59 -4.598 3.077 11.024 1.00 0.00 H ATOM 956 HB3 ASN A 59 -2.864 3.302 10.696 1.00 0.00 H ATOM 957 HD22 ASN A 59 -1.688 3.456 12.474 1.00 0.00 H ATOM 958 HD21 ASN A 59 -2.201 4.302 13.979 1.00 0.00 H ATOM 959 H ASN A 59 -6.133 4.819 10.812 1.00 0.00 H ATOM 960 N MET A 60 -2.742 4.624 8.093 1.00 18.05 N ATOM 961 CA MET A 60 -2.427 4.140 6.759 1.00 19.41 C ATOM 962 C MET A 60 -0.957 3.758 6.732 1.00 18.21 C ATOM 963 O MET A 60 -0.195 4.118 7.630 1.00 19.09 O ATOM 964 CB MET A 60 -2.715 5.210 5.700 1.00 17.77 C ATOM 965 CG MET A 60 -1.901 6.486 5.840 1.00 23.40 C ATOM 966 SD MET A 60 -2.192 7.630 4.462 1.00 25.98 S ATOM 967 CE MET A 60 -0.776 7.329 3.503 1.00 26.55 C ATOM 968 HA MET A 60 -3.051 3.277 6.528 1.00 0.00 H ATOM 969 HB2 MET A 60 -2.507 4.781 4.720 1.00 0.00 H ATOM 970 HB3 MET A 60 -3.771 5.473 5.763 1.00 0.00 H ATOM 971 HG2 MET A 60 -0.842 6.228 5.866 1.00 0.00 H ATOM 972 HG3 MET A 60 -2.177 6.979 6.772 1.00 0.00 H ATOM 973 HE1 MET A 60 0.114 7.561 4.088 1.00 0.00 H ATOM 974 HE2 MET A 60 -0.755 6.280 3.208 1.00 0.00 H ATOM 975 HE3 MET A 60 -0.801 7.958 2.613 1.00 0.00 H ATOM 976 H MET A 60 -2.021 5.149 8.628 1.00 0.00 H ATOM 977 N THR A 61 -0.561 3.009 5.714 1.00 17.08 N ATOM 978 CA THR A 61 0.827 2.608 5.581 1.00 17.55 C ATOM 979 C THR A 61 1.641 3.827 5.172 1.00 18.13 C ATOM 980 O THR A 61 1.203 4.626 4.342 1.00 15.64 O ATOM 981 CB THR A 61 0.978 1.509 4.520 1.00 17.23 C ATOM 982 OG1 THR A 61 0.260 0.348 4.948 1.00 19.40 O ATOM 983 CG2 THR A 61 2.437 1.154 4.313 1.00 17.92 C ATOM 984 HA THR A 61 1.181 2.212 6.533 1.00 0.00 H ATOM 985 HB THR A 61 0.577 1.874 3.575 1.00 0.00 H ATOM 986 HG1 THR A 61 -0.697 0.576 5.060 1.00 0.00 H ATOM 987 HG23 THR A 61 2.982 2.040 3.987 1.00 0.00 H ATOM 988 HG21 THR A 61 2.858 0.791 5.251 1.00 0.00 H ATOM 989 HG22 THR A 61 2.516 0.377 3.553 1.00 0.00 H ATOM 990 H THR A 61 -1.254 2.704 5.001 1.00 0.00 H ATOM 991 N CYS A 62 2.820 3.970 5.765 1.00 18.20 N ATOM 992 CA CYS A 62 3.696 5.095 5.461 1.00 19.40 C ATOM 993 C CYS A 62 4.353 4.923 4.096 1.00 21.86 C ATOM 994 O CYS A 62 5.052 3.939 3.858 1.00 22.43 O ATOM 995 CB CYS A 62 4.795 5.209 6.510 1.00 18.69 C ATOM 996 SG CYS A 62 4.261 5.569 8.207 1.00 16.44 S ATOM 997 HA CYS A 62 3.082 5.996 5.459 1.00 0.00 H ATOM 998 HB2 CYS A 62 5.469 6.007 6.198 1.00 0.00 H ATOM 999 HB3 CYS A 62 5.337 4.263 6.527 1.00 0.00 H ATOM 1000 H CYS A 62 3.126 3.263 6.463 1.00 0.00 H ATOM 1001 N PRO A 63 4.149 5.886 3.185 1.00 23.32 N ATOM 1002 CA PRO A 63 4.747 5.801 1.848 1.00 24.79 C ATOM 1003 C PRO A 63 6.247 5.487 1.890 1.00 26.50 C ATOM 1004 O PRO A 63 6.758 4.763 1.039 1.00 27.93 O ATOM 1005 CB PRO A 63 4.467 7.181 1.257 1.00 25.69 C ATOM 1006 CG PRO A 63 3.161 7.551 1.885 1.00 25.24 C ATOM 1007 CD PRO A 63 3.341 7.111 3.327 1.00 23.59 C ATOM 1008 HA PRO A 63 4.330 4.987 1.255 1.00 0.00 H ATOM 1009 HD3 PRO A 63 3.869 7.867 3.908 1.00 0.00 H ATOM 1010 HD2 PRO A 63 2.381 6.898 3.798 1.00 0.00 H ATOM 1011 HG3 PRO A 63 2.334 7.020 1.413 1.00 0.00 H ATOM 1012 HG2 PRO A 63 2.985 8.625 1.821 1.00 0.00 H ATOM 1013 HB2 PRO A 63 5.249 7.891 1.528 1.00 0.00 H ATOM 1014 HB3 PRO A 63 4.382 7.134 0.171 1.00 0.00 H ATOM 1015 N SER A 64 6.949 6.016 2.888 1.00 28.84 N ATOM 1016 CA SER A 64 8.389 5.784 2.994 1.00 32.69 C ATOM 1017 C SER A 64 8.762 4.381 3.483 1.00 33.43 C ATOM 1018 O SER A 64 9.693 3.767 2.957 1.00 34.38 O ATOM 1019 CB SER A 64 9.031 6.824 3.916 1.00 33.29 C ATOM 1020 OG SER A 64 8.830 6.496 5.281 1.00 37.86 O ATOM 1021 HA SER A 64 8.774 5.877 1.979 1.00 0.00 H ATOM 1022 HB2 SER A 64 8.587 7.799 3.716 1.00 0.00 H ATOM 1023 HB3 SER A 64 10.101 6.865 3.714 1.00 0.00 H ATOM 1024 HG SER A 64 7.859 6.462 5.471 1.00 0.00 H ATOM 1025 H SER A 64 6.469 6.601 3.601 1.00 0.00 H ATOM 1026 N ASN A 65 8.047 3.874 4.485 1.00 33.68 N ATOM 1027 CA ASN A 65 8.333 2.542 5.029 1.00 32.79 C ATOM 1028 C ASN A 65 7.095 1.654 5.006 1.00 32.52 C ATOM 1029 O ASN A 65 6.194 1.815 5.833 1.00 30.99 O ATOM 1030 CB ASN A 65 8.831 2.658 6.469 1.00 33.60 C ATOM 1031 CG ASN A 65 9.462 1.374 6.976 1.00 33.09 C ATOM 1032 OD1 ASN A 65 8.983 0.276 6.691 1.00 33.67 O ATOM 1033 ND2 ASN A 65 10.537 1.509 7.744 1.00 33.98 N ATOM 1034 HA ASN A 65 9.101 2.090 4.402 1.00 0.00 H ATOM 1035 HB2 ASN A 65 9.573 3.455 6.518 1.00 0.00 H ATOM 1036 HB3 ASN A 65 7.987 2.909 7.111 1.00 0.00 H ATOM 1037 HD22 ASN A 65 10.907 2.457 7.959 1.00 0.00 H ATOM 1038 HD21 ASN A 65 11.009 0.667 8.131 1.00 0.00 H ATOM 1039 H ASN A 65 7.270 4.434 4.890 1.00 0.00 H ATOM 1040 N LYS A 66 7.065 0.704 4.075 1.00 32.02 N ATOM 1041 CA LYS A 66 5.931 -0.200 3.932 1.00 31.49 C ATOM 1042 C LYS A 66 5.718 -1.131 5.125 1.00 29.56 C ATOM 1043 O LYS A 66 4.858 -2.017 5.077 1.00 30.02 O ATOM 1044 CB LYS A 66 6.088 -1.042 2.663 1.00 34.95 C ATOM 1045 CG LYS A 66 7.202 -2.075 2.739 1.00 38.91 C ATOM 1046 CD LYS A 66 7.283 -2.897 1.462 1.00 42.28 C ATOM 1047 CE LYS A 66 8.373 -3.954 1.556 1.00 44.00 C ATOM 1048 NZ LYS A 66 8.516 -4.704 0.278 1.00 46.21 N ATOM 1049 HA LYS A 66 5.051 0.440 3.873 1.00 0.00 H ATOM 1050 HB2 LYS A 66 5.149 -1.564 2.479 1.00 0.00 H ATOM 1051 HB3 LYS A 66 6.299 -0.371 1.830 1.00 0.00 H ATOM 1052 HG2 LYS A 66 8.152 -1.563 2.892 1.00 0.00 H ATOM 1053 HG3 LYS A 66 7.011 -2.742 3.579 1.00 0.00 H ATOM 1054 HD2 LYS A 66 6.325 -3.388 1.294 1.00 0.00 H ATOM 1055 HD3 LYS A 66 7.502 -2.234 0.625 1.00 0.00 H ATOM 1056 HE2 LYS A 66 8.120 -4.654 2.352 1.00 0.00 H ATOM 1057 HE3 LYS A 66 9.320 -3.467 1.789 1.00 0.00 H ATOM 1058 HZ1 LYS A 66 7.617 -5.176 0.052 1.00 0.00 H ATOM 1059 HZ2 LYS A 66 8.763 -4.042 -0.485 1.00 0.00 H ATOM 1060 HZ3 LYS A 66 9.267 -5.416 0.378 1.00 0.00 H ATOM 1061 H LYS A 66 7.875 0.604 3.430 1.00 0.00 H ATOM 1062 N THR A 67 6.498 -0.951 6.188 1.00 27.06 N ATOM 1063 CA THR A 67 6.345 -1.798 7.364 1.00 24.07 C ATOM 1064 C THR A 67 5.723 -1.015 8.512 1.00 22.17 C ATOM 1065 O THR A 67 5.374 -1.589 9.538 1.00 19.40 O ATOM 1066 CB THR A 67 7.695 -2.386 7.837 1.00 23.85 C ATOM 1067 OG1 THR A 67 8.471 -1.369 8.478 1.00 25.30 O ATOM 1068 CG2 THR A 67 8.476 -2.944 6.653 1.00 25.70 C ATOM 1069 HA THR A 67 5.691 -2.620 7.073 1.00 0.00 H ATOM 1070 HB THR A 67 7.493 -3.192 8.543 1.00 0.00 H ATOM 1071 HG1 THR A 67 8.641 -0.633 7.838 1.00 0.00 H ATOM 1072 HG23 THR A 67 7.886 -3.719 6.163 1.00 0.00 H ATOM 1073 HG21 THR A 67 8.683 -2.141 5.945 1.00 0.00 H ATOM 1074 HG22 THR A 67 9.415 -3.369 7.007 1.00 0.00 H ATOM 1075 H THR A 67 7.220 -0.203 6.180 1.00 0.00 H ATOM 1076 N ARG A 68 5.583 0.297 8.333 1.00 20.82 N ATOM 1077 CA ARG A 68 4.993 1.143 9.366 1.00 20.14 C ATOM 1078 C ARG A 68 3.547 1.495 9.050 1.00 18.29 C ATOM 1079 O ARG A 68 3.209 1.862 7.927 1.00 17.70 O ATOM 1080 CB ARG A 68 5.816 2.416 9.555 1.00 21.71 C ATOM 1081 CG ARG A 68 7.248 2.150 10.004 1.00 26.20 C ATOM 1082 CD ARG A 68 7.315 1.081 11.087 1.00 28.14 C ATOM 1083 NE ARG A 68 6.552 1.424 12.285 1.00 30.50 N ATOM 1084 CZ ARG A 68 6.886 2.385 13.138 1.00 32.00 C ATOM 1085 NH1 ARG A 68 6.129 2.620 14.201 1.00 31.25 N ATOM 1086 NH2 ARG A 68 7.979 3.110 12.930 1.00 33.65 N ATOM 1087 HA ARG A 68 5.002 0.573 10.295 1.00 0.00 H ATOM 1088 HB2 ARG A 68 5.845 2.953 8.607 1.00 0.00 H ATOM 1089 HB3 ARG A 68 5.327 3.035 10.307 1.00 0.00 H ATOM 1090 HG2 ARG A 68 7.831 1.819 9.145 1.00 0.00 H ATOM 1091 HG3 ARG A 68 7.673 3.075 10.395 1.00 0.00 H ATOM 1092 HD2 ARG A 68 8.358 0.939 11.370 1.00 0.00 H ATOM 1093 HD3 ARG A 68 6.920 0.150 10.680 1.00 0.00 H ATOM 1094 HE ARG A 68 5.689 0.878 12.483 1.00 0.00 H ATOM 1095 HH12 ARG A 68 6.390 3.373 14.869 1.00 0.00 H ATOM 1096 HH11 ARG A 68 5.274 2.052 14.366 1.00 0.00 H ATOM 1097 HH22 ARG A 68 8.239 3.862 13.599 1.00 0.00 H ATOM 1098 HH21 ARG A 68 8.575 2.925 12.098 1.00 0.00 H ATOM 1099 H ARG A 68 5.900 0.727 7.441 1.00 0.00 H ATOM 1100 N LYS A 69 2.702 1.392 10.066 1.00 17.32 N ATOM 1101 CA LYS A 69 1.278 1.648 9.917 1.00 16.81 C ATOM 1102 C LYS A 69 0.790 2.773 10.821 1.00 15.70 C ATOM 1103 O LYS A 69 -0.401 2.873 11.099 1.00 14.38 O ATOM 1104 CB LYS A 69 0.510 0.359 10.229 1.00 18.85 C ATOM 1105 CG LYS A 69 -0.991 0.434 10.010 1.00 21.91 C ATOM 1106 CD LYS A 69 -1.303 0.911 8.609 1.00 23.42 C ATOM 1107 CE LYS A 69 -2.772 0.734 8.297 1.00 26.95 C ATOM 1108 NZ LYS A 69 -3.112 -0.715 8.176 1.00 26.99 N ATOM 1109 HA LYS A 69 1.098 1.966 8.890 1.00 0.00 H ATOM 1110 HB2 LYS A 69 0.905 -0.432 9.592 1.00 0.00 H ATOM 1111 HB3 LYS A 69 0.687 0.105 11.274 1.00 0.00 H ATOM 1112 HG2 LYS A 69 -1.424 -0.555 10.156 1.00 0.00 H ATOM 1113 HG3 LYS A 69 -1.424 1.129 10.730 1.00 0.00 H ATOM 1114 HD2 LYS A 69 -1.044 1.966 8.524 1.00 0.00 H ATOM 1115 HD3 LYS A 69 -0.714 0.335 7.895 1.00 0.00 H ATOM 1116 HE2 LYS A 69 -3.002 1.236 7.357 1.00 0.00 H ATOM 1117 HE3 LYS A 69 -3.365 1.176 9.098 1.00 0.00 H ATOM 1118 HZ1 LYS A 69 -2.551 -1.139 7.410 1.00 0.00 H ATOM 1119 HZ2 LYS A 69 -2.897 -1.196 9.072 1.00 0.00 H ATOM 1120 HZ3 LYS A 69 -4.125 -0.815 7.962 1.00 0.00 H ATOM 1121 H LYS A 69 3.069 1.119 11.000 1.00 0.00 H ATOM 1122 N ASN A 70 1.705 3.625 11.269 1.00 14.74 N ATOM 1123 CA ASN A 70 1.332 4.727 12.147 1.00 16.57 C ATOM 1124 C ASN A 70 1.289 6.076 11.431 1.00 15.78 C ATOM 1125 O ASN A 70 1.484 7.123 12.057 1.00 16.51 O ATOM 1126 CB ASN A 70 2.299 4.792 13.332 1.00 16.85 C ATOM 1127 CG ASN A 70 3.715 5.118 12.905 1.00 19.48 C ATOM 1128 OD1 ASN A 70 4.169 4.684 11.847 1.00 17.92 O ATOM 1129 ND2 ASN A 70 4.427 5.873 13.737 1.00 20.29 N ATOM 1130 HA ASN A 70 0.319 4.527 12.497 1.00 0.00 H ATOM 1131 HB2 ASN A 70 1.955 5.562 14.023 1.00 0.00 H ATOM 1132 HB3 ASN A 70 2.299 3.826 13.837 1.00 0.00 H ATOM 1133 HD22 ASN A 70 4.001 6.217 14.621 1.00 0.00 H ATOM 1134 HD21 ASN A 70 5.410 6.119 13.504 1.00 0.00 H ATOM 1135 H ASN A 70 2.700 3.504 10.990 1.00 0.00 H ATOM 1136 N CYS A 71 1.038 6.055 10.123 1.00 14.40 N ATOM 1137 CA CYS A 71 0.956 7.288 9.343 1.00 15.77 C ATOM 1138 C CYS A 71 -0.489 7.750 9.190 1.00 15.66 C ATOM 1139 O CYS A 71 -1.428 6.960 9.316 1.00 13.88 O ATOM 1140 CB CYS A 71 1.626 7.114 7.965 1.00 15.91 C ATOM 1141 SG CYS A 71 3.424 7.415 8.077 1.00 18.69 S ATOM 1142 HA CYS A 71 1.497 8.062 9.888 1.00 0.00 H ATOM 1143 HB2 CYS A 71 1.188 7.822 7.262 1.00 0.00 H ATOM 1144 HB3 CYS A 71 1.455 6.098 7.610 1.00 0.00 H ATOM 1145 H CYS A 71 0.897 5.141 9.647 1.00 0.00 H ATOM 1146 N HIS A 72 -0.662 9.038 8.924 1.00 14.77 N ATOM 1147 CA HIS A 72 -1.992 9.619 8.794 1.00 15.46 C ATOM 1148 C HIS A 72 -2.000 10.685 7.703 1.00 15.43 C ATOM 1149 O HIS A 72 -1.065 11.466 7.587 1.00 15.27 O ATOM 1150 CB HIS A 72 -2.402 10.226 10.136 1.00 11.82 C ATOM 1151 CG HIS A 72 -2.277 9.272 11.285 1.00 14.47 C ATOM 1152 ND1 HIS A 72 -3.306 8.444 11.683 1.00 13.16 N ATOM 1153 CD2 HIS A 72 -1.223 8.967 12.078 1.00 14.38 C ATOM 1154 CE1 HIS A 72 -2.891 7.670 12.669 1.00 14.73 C ATOM 1155 NE2 HIS A 72 -1.629 7.966 12.928 1.00 16.11 N ATOM 1156 HA HIS A 72 -2.704 8.843 8.514 1.00 0.00 H ATOM 1157 HB2 HIS A 72 -1.767 11.090 10.333 1.00 0.00 H ATOM 1158 HB3 HIS A 72 -3.441 10.549 10.066 1.00 0.00 H ATOM 1159 HD2 HIS A 72 -0.236 9.429 12.048 1.00 0.00 H ATOM 1160 HE1 HIS A 72 -3.487 6.916 13.182 1.00 0.00 H ATOM 1161 H HIS A 72 0.172 9.648 8.805 1.00 0.00 H ATOM 1162 N HIS A 73 -3.061 10.706 6.905 1.00 15.62 N ATOM 1163 CA HIS A 73 -3.191 11.666 5.809 1.00 17.47 C ATOM 1164 C HIS A 73 -3.884 12.939 6.313 1.00 16.71 C ATOM 1165 O HIS A 73 -4.872 12.861 7.041 1.00 17.24 O ATOM 1166 CB HIS A 73 -3.989 11.014 4.672 1.00 18.11 C ATOM 1167 CG HIS A 73 -3.935 11.764 3.379 1.00 20.04 C ATOM 1168 ND1 HIS A 73 -4.666 12.910 3.151 1.00 20.48 N ATOM 1169 CD2 HIS A 73 -3.246 11.524 2.237 1.00 19.89 C ATOM 1170 CE1 HIS A 73 -4.432 13.341 1.924 1.00 20.52 C ATOM 1171 NE2 HIS A 73 -3.574 12.517 1.349 1.00 18.89 N ATOM 1172 HA HIS A 73 -2.207 11.947 5.434 1.00 0.00 H ATOM 1173 HB2 HIS A 73 -3.591 10.013 4.504 1.00 0.00 H ATOM 1174 HB3 HIS A 73 -5.031 10.942 4.983 1.00 0.00 H ATOM 1175 HD2 HIS A 73 -2.559 10.697 2.058 1.00 0.00 H ATOM 1176 HE1 HIS A 73 -4.872 14.226 1.464 1.00 0.00 H ATOM 1177 H HIS A 73 -3.824 10.018 7.064 1.00 0.00 H ATOM 1178 N SER A 74 -3.372 14.105 5.926 1.00 16.33 N ATOM 1179 CA SER A 74 -3.941 15.378 6.389 1.00 17.12 C ATOM 1180 C SER A 74 -5.401 15.651 6.027 1.00 18.53 C ATOM 1181 O SER A 74 -6.048 16.489 6.652 1.00 19.70 O ATOM 1182 CB SER A 74 -3.080 16.555 5.911 1.00 16.01 C ATOM 1183 OG SER A 74 -3.033 16.643 4.496 1.00 17.84 O ATOM 1184 HA SER A 74 -3.933 15.279 7.474 1.00 0.00 H ATOM 1185 HB2 SER A 74 -2.066 16.425 6.289 1.00 0.00 H ATOM 1186 HB3 SER A 74 -3.498 17.480 6.307 1.00 0.00 H ATOM 1187 HG SER A 74 -3.950 16.768 4.144 1.00 0.00 H ATOM 1188 H SER A 74 -2.554 14.115 5.284 1.00 0.00 H ATOM 1189 N GLY A 75 -5.923 14.952 5.027 1.00 19.78 N ATOM 1190 CA GLY A 75 -7.304 15.173 4.635 1.00 22.68 C ATOM 1191 C GLY A 75 -7.443 16.325 3.656 1.00 25.37 C ATOM 1192 O GLY A 75 -8.169 16.227 2.666 1.00 27.88 O ATOM 1193 HA3 GLY A 75 -7.891 15.396 5.526 1.00 0.00 H ATOM 1194 HA2 GLY A 75 -7.686 14.266 4.167 1.00 0.00 H ATOM 1195 H GLY A 75 -5.345 14.248 4.525 1.00 0.00 H ATOM 1196 N SER A 76 -6.753 17.427 3.929 1.00 24.56 N ATOM 1197 CA SER A 76 -6.806 18.581 3.043 1.00 26.31 C ATOM 1198 C SER A 76 -5.403 19.128 2.827 1.00 25.60 C ATOM 1199 O SER A 76 -4.460 18.704 3.495 1.00 24.88 O ATOM 1200 CB SER A 76 -7.720 19.664 3.626 1.00 25.54 C ATOM 1201 OG SER A 76 -7.310 20.043 4.923 1.00 28.21 O ATOM 1202 HA SER A 76 -7.217 18.271 2.082 1.00 0.00 H ATOM 1203 HB2 SER A 76 -8.739 19.280 3.674 1.00 0.00 H ATOM 1204 HB3 SER A 76 -7.693 20.538 2.976 1.00 0.00 H ATOM 1205 HG SER A 76 -7.920 20.742 5.270 1.00 0.00 H ATOM 1206 H SER A 76 -6.167 17.466 4.787 1.00 0.00 H ATOM 1207 N GLN A 77 -5.267 20.056 1.881 1.00 24.28 N ATOM 1208 CA GLN A 77 -3.971 20.656 1.576 1.00 23.55 C ATOM 1209 C GLN A 77 -3.679 21.818 2.509 1.00 22.46 C ATOM 1210 O GLN A 77 -4.590 22.412 3.076 1.00 22.89 O ATOM 1211 CB GLN A 77 -3.940 21.184 0.141 1.00 22.84 C ATOM 1212 CG GLN A 77 -4.273 20.169 -0.924 1.00 25.99 C ATOM 1213 CD GLN A 77 -4.204 20.770 -2.313 1.00 28.32 C ATOM 1214 OE1 GLN A 77 -4.848 21.781 -2.594 1.00 30.67 O ATOM 1215 NE2 GLN A 77 -3.422 20.152 -3.188 1.00 30.20 N ATOM 1216 HA GLN A 77 -3.219 19.877 1.704 1.00 0.00 H ATOM 1217 HB2 GLN A 77 -4.659 22.000 0.066 1.00 0.00 H ATOM 1218 HB3 GLN A 77 -2.938 21.565 -0.057 1.00 0.00 H ATOM 1219 HG2 GLN A 77 -3.563 19.344 -0.860 1.00 0.00 H ATOM 1220 HG3 GLN A 77 -5.282 19.793 -0.751 1.00 0.00 H ATOM 1221 HE22 GLN A 77 -2.897 19.300 -2.905 1.00 0.00 H ATOM 1222 HE21 GLN A 77 -3.334 20.519 -4.157 1.00 0.00 H ATOM 1223 H GLN A 77 -6.105 20.361 1.346 1.00 0.00 H ATOM 1224 N VAL A 78 -2.400 22.136 2.671 1.00 20.22 N ATOM 1225 CA VAL A 78 -2.009 23.256 3.510 1.00 19.22 C ATOM 1226 C VAL A 78 -0.857 23.977 2.840 1.00 18.62 C ATOM 1227 O VAL A 78 -0.128 23.395 2.042 1.00 18.31 O ATOM 1228 CB VAL A 78 -1.543 22.809 4.914 1.00 18.62 C ATOM 1229 CG1 VAL A 78 -2.635 22.003 5.595 1.00 19.89 C ATOM 1230 CG2 VAL A 78 -0.255 22.010 4.807 1.00 18.67 C ATOM 1231 HA VAL A 78 -2.881 23.899 3.632 1.00 0.00 H ATOM 1232 HB VAL A 78 -1.344 23.691 5.523 1.00 0.00 H ATOM 1233 HG11 VAL A 78 -3.530 22.617 5.693 1.00 0.00 H ATOM 1234 HG12 VAL A 78 -2.862 21.121 4.995 1.00 0.00 H ATOM 1235 HG13 VAL A 78 -2.294 21.694 6.583 1.00 0.00 H ATOM 1236 HG21 VAL A 78 -0.426 21.129 4.189 1.00 0.00 H ATOM 1237 HG22 VAL A 78 0.519 22.629 4.353 1.00 0.00 H ATOM 1238 HG23 VAL A 78 0.063 21.701 5.803 1.00 0.00 H ATOM 1239 H VAL A 78 -1.668 21.575 2.190 1.00 0.00 H ATOM 1240 N PRO A 79 -0.698 25.269 3.130 1.00 19.16 N ATOM 1241 CA PRO A 79 0.410 25.994 2.511 1.00 18.88 C ATOM 1242 C PRO A 79 1.682 25.426 3.129 1.00 18.54 C ATOM 1243 O PRO A 79 1.678 25.026 4.291 1.00 18.75 O ATOM 1244 CB PRO A 79 0.169 27.436 2.948 1.00 20.25 C ATOM 1245 CG PRO A 79 -1.318 27.491 3.161 1.00 20.52 C ATOM 1246 CD PRO A 79 -1.599 26.185 3.847 1.00 19.13 C ATOM 1247 HA PRO A 79 0.489 25.920 1.426 1.00 0.00 H ATOM 1248 HD3 PRO A 79 -1.355 26.233 4.908 1.00 0.00 H ATOM 1249 HD2 PRO A 79 -2.642 25.890 3.729 1.00 0.00 H ATOM 1250 HG3 PRO A 79 -1.850 27.560 2.212 1.00 0.00 H ATOM 1251 HG2 PRO A 79 -1.594 28.335 3.793 1.00 0.00 H ATOM 1252 HB2 PRO A 79 0.704 27.659 3.871 1.00 0.00 H ATOM 1253 HB3 PRO A 79 0.478 28.136 2.172 1.00 0.00 H ATOM 1254 N LEU A 80 2.756 25.368 2.354 1.00 18.37 N ATOM 1255 CA LEU A 80 4.020 24.871 2.873 1.00 17.98 C ATOM 1256 C LEU A 80 5.181 25.477 2.108 1.00 18.98 C ATOM 1257 O LEU A 80 5.027 25.947 0.974 1.00 19.08 O ATOM 1258 CB LEU A 80 4.080 23.337 2.795 1.00 17.60 C ATOM 1259 CG LEU A 80 4.121 22.625 1.442 1.00 20.05 C ATOM 1260 CD1 LEU A 80 5.493 22.801 0.798 1.00 19.64 C ATOM 1261 CD2 LEU A 80 3.829 21.142 1.648 1.00 19.31 C ATOM 1262 HA LEU A 80 4.094 25.165 3.920 1.00 0.00 H ATOM 1263 HB2 LEU A 80 4.977 23.032 3.335 1.00 0.00 H ATOM 1264 HB3 LEU A 80 3.199 22.964 3.317 1.00 0.00 H ATOM 1265 HG LEU A 80 3.369 23.057 0.782 1.00 0.00 H ATOM 1266 HD21 LEU A 80 4.581 20.714 2.311 1.00 0.00 H ATOM 1267 HD22 LEU A 80 2.841 21.026 2.094 1.00 0.00 H ATOM 1268 HD23 LEU A 80 3.857 20.630 0.686 1.00 0.00 H ATOM 1269 HD11 LEU A 80 5.690 23.863 0.650 1.00 0.00 H ATOM 1270 HD12 LEU A 80 6.256 22.376 1.450 1.00 0.00 H ATOM 1271 HD13 LEU A 80 5.509 22.290 -0.164 1.00 0.00 H ATOM 1272 H LEU A 80 2.694 25.681 1.364 1.00 0.00 H ATOM 1273 N ILE A 81 6.346 25.472 2.737 1.00 18.06 N ATOM 1274 CA ILE A 81 7.543 25.996 2.108 1.00 17.11 C ATOM 1275 C ILE A 81 8.577 24.885 2.134 1.00 16.80 C ATOM 1276 O ILE A 81 8.865 24.326 3.192 1.00 15.40 O ATOM 1277 CB ILE A 81 8.100 27.222 2.874 1.00 18.45 C ATOM 1278 CG1 ILE A 81 7.074 28.360 2.849 1.00 19.83 C ATOM 1279 CG2 ILE A 81 9.412 27.678 2.241 1.00 17.20 C ATOM 1280 CD1 ILE A 81 7.441 29.541 3.715 1.00 20.36 C ATOM 1281 HA ILE A 81 7.312 26.320 1.093 1.00 0.00 H ATOM 1282 HB ILE A 81 8.290 26.942 3.910 1.00 0.00 H ATOM 1283 HG12 ILE A 81 6.973 28.708 1.821 1.00 0.00 H ATOM 1284 HG13 ILE A 81 6.118 27.967 3.194 1.00 0.00 H ATOM 1285 HD11 ILE A 81 7.534 29.215 4.751 1.00 0.00 H ATOM 1286 HD12 ILE A 81 8.390 29.957 3.377 1.00 0.00 H ATOM 1287 HD13 ILE A 81 6.663 30.301 3.640 1.00 0.00 H ATOM 1288 HG21 ILE A 81 10.137 26.865 2.286 1.00 0.00 H ATOM 1289 HG22 ILE A 81 9.236 27.953 1.201 1.00 0.00 H ATOM 1290 HG23 ILE A 81 9.796 28.540 2.786 1.00 0.00 H ATOM 1291 H ILE A 81 6.404 25.085 3.701 1.00 0.00 H ATOM 1292 N HIS A 82 9.116 24.542 0.970 1.00 16.12 N ATOM 1293 CA HIS A 82 10.137 23.510 0.913 1.00 16.92 C ATOM 1294 C HIS A 82 11.485 24.191 0.732 1.00 15.39 C ATOM 1295 O HIS A 82 11.648 25.045 -0.138 1.00 15.78 O ATOM 1296 CB HIS A 82 9.895 22.545 -0.243 1.00 19.62 C ATOM 1297 CG HIS A 82 10.797 21.350 -0.214 1.00 22.08 C ATOM 1298 ND1 HIS A 82 10.744 20.406 0.789 1.00 24.08 N ATOM 1299 CD2 HIS A 82 11.807 20.972 -1.033 1.00 22.29 C ATOM 1300 CE1 HIS A 82 11.683 19.499 0.588 1.00 23.45 C ATOM 1301 NE2 HIS A 82 12.343 19.820 -0.511 1.00 24.42 N ATOM 1302 HA HIS A 82 10.110 22.931 1.836 1.00 0.00 H ATOM 1303 HB2 HIS A 82 8.862 22.201 -0.196 1.00 0.00 H ATOM 1304 HB3 HIS A 82 10.057 23.079 -1.180 1.00 0.00 H ATOM 1305 HD2 HIS A 82 12.134 21.486 -1.937 1.00 0.00 H ATOM 1306 HE1 HIS A 82 11.880 18.633 1.221 1.00 0.00 H ATOM 1307 H HIS A 82 8.806 25.014 0.096 1.00 0.00 H ATOM 1308 N CYS A 83 12.447 23.816 1.564 1.00 14.92 N ATOM 1309 CA CYS A 83 13.779 24.395 1.499 1.00 16.67 C ATOM 1310 C CYS A 83 14.767 23.425 0.853 1.00 17.39 C ATOM 1311 O CYS A 83 14.846 22.258 1.238 1.00 18.58 O ATOM 1312 CB CYS A 83 14.261 24.754 2.904 1.00 16.80 C ATOM 1313 SG CYS A 83 13.213 25.932 3.825 1.00 16.59 S ATOM 1314 HA CYS A 83 13.727 25.296 0.888 1.00 0.00 H ATOM 1315 HB2 CYS A 83 15.256 25.189 2.816 1.00 0.00 H ATOM 1316 HB3 CYS A 83 14.319 23.833 3.484 1.00 0.00 H ATOM 1317 H CYS A 83 12.244 23.090 2.280 1.00 0.00 H ATOM 1318 N ASN A 84 15.513 23.923 -0.128 1.00 19.36 N ATOM 1319 CA ASN A 84 16.505 23.134 -0.852 1.00 19.35 C ATOM 1320 C ASN A 84 17.864 23.796 -0.704 1.00 19.49 C ATOM 1321 O ASN A 84 18.016 24.993 -0.967 1.00 20.11 O ATOM 1322 CB ASN A 84 16.151 23.060 -2.341 1.00 20.78 C ATOM 1323 CG ASN A 84 15.011 22.105 -2.628 1.00 26.85 C ATOM 1324 OD1 ASN A 84 15.192 20.883 -2.623 1.00 28.93 O ATOM 1325 ND2 ASN A 84 13.826 22.654 -2.881 1.00 24.32 N ATOM 1326 HA ASN A 84 16.522 22.125 -0.441 1.00 0.00 H ATOM 1327 HB2 ASN A 84 15.865 24.055 -2.681 1.00 0.00 H ATOM 1328 HB3 ASN A 84 17.031 22.728 -2.892 1.00 0.00 H ATOM 1329 HD22 ASN A 84 13.720 23.689 -2.874 1.00 0.00 H ATOM 1330 HD21 ASN A 84 13.005 22.049 -3.085 1.00 0.00 H ATOM 1331 H ASN A 84 15.384 24.921 -0.392 1.00 0.00 H ATOM 1332 N LEU A 85 18.855 23.017 -0.294 1.00 19.08 N ATOM 1333 CA LEU A 85 20.203 23.539 -0.115 1.00 21.21 C ATOM 1334 C LEU A 85 20.818 23.914 -1.467 1.00 22.14 C ATOM 1335 O LEU A 85 20.796 23.123 -2.405 1.00 24.34 O ATOM 1336 CB LEU A 85 21.067 22.488 0.585 1.00 21.30 C ATOM 1337 CG LEU A 85 22.516 22.850 0.916 1.00 21.63 C ATOM 1338 CD1 LEU A 85 22.560 23.981 1.937 1.00 21.36 C ATOM 1339 CD2 LEU A 85 23.220 21.612 1.463 1.00 22.66 C ATOM 1340 HA LEU A 85 20.157 24.438 0.500 1.00 0.00 H ATOM 1341 HB2 LEU A 85 20.574 22.236 1.524 1.00 0.00 H ATOM 1342 HB3 LEU A 85 21.092 21.608 -0.058 1.00 0.00 H ATOM 1343 HG LEU A 85 23.024 23.190 0.014 1.00 0.00 H ATOM 1344 HD21 LEU A 85 22.709 21.273 2.364 1.00 0.00 H ATOM 1345 HD22 LEU A 85 23.198 20.822 0.712 1.00 0.00 H ATOM 1346 HD23 LEU A 85 24.254 21.860 1.702 1.00 0.00 H ATOM 1347 HD11 LEU A 85 22.059 24.858 1.528 1.00 0.00 H ATOM 1348 HD12 LEU A 85 22.055 23.665 2.850 1.00 0.00 H ATOM 1349 HD13 LEU A 85 23.598 24.226 2.161 1.00 0.00 H ATOM 1350 H LEU A 85 18.666 22.014 -0.096 1.00 0.00 H ATOM 1351 N THR A 86 21.357 25.125 -1.565 1.00 23.32 N ATOM 1352 CA THR A 86 21.975 25.589 -2.806 1.00 24.94 C ATOM 1353 C THR A 86 23.459 25.891 -2.606 1.00 27.10 C ATOM 1354 O THR A 86 24.242 25.840 -3.556 1.00 26.91 O ATOM 1355 CB THR A 86 21.291 26.872 -3.338 1.00 25.28 C ATOM 1356 OG1 THR A 86 21.425 27.922 -2.369 1.00 26.35 O ATOM 1357 CG2 THR A 86 19.820 26.623 -3.606 1.00 22.88 C ATOM 1358 HA THR A 86 21.853 24.783 -3.529 1.00 0.00 H ATOM 1359 HB THR A 86 21.774 27.162 -4.271 1.00 0.00 H ATOM 1360 HG1 THR A 86 20.994 27.645 -1.522 1.00 0.00 H ATOM 1361 HG23 THR A 86 19.716 25.826 -4.342 1.00 0.00 H ATOM 1362 HG21 THR A 86 19.328 26.330 -2.679 1.00 0.00 H ATOM 1363 HG22 THR A 86 19.362 27.535 -3.989 1.00 0.00 H ATOM 1364 H THR A 86 21.339 25.757 -0.739 1.00 0.00 H ATOM 1365 N THR A 87 23.837 26.199 -1.367 1.00 28.84 N ATOM 1366 CA THR A 87 25.221 26.521 -1.032 1.00 31.15 C ATOM 1367 C THR A 87 25.664 25.744 0.212 1.00 33.19 C ATOM 1368 O THR A 87 25.481 26.205 1.338 1.00 33.32 O ATOM 1369 CB THR A 87 25.372 28.032 -0.767 1.00 31.97 C ATOM 1370 OG1 THR A 87 24.794 28.768 -1.853 1.00 31.04 O ATOM 1371 CG2 THR A 87 26.836 28.409 -0.637 1.00 30.64 C ATOM 1372 HA THR A 87 25.849 26.238 -1.877 1.00 0.00 H ATOM 1373 HB THR A 87 24.860 28.273 0.165 1.00 0.00 H ATOM 1374 HG1 THR A 87 23.834 28.540 -1.930 1.00 0.00 H ATOM 1375 HG23 THR A 87 27.281 27.852 0.188 1.00 0.00 H ATOM 1376 HG21 THR A 87 27.356 28.166 -1.564 1.00 0.00 H ATOM 1377 HG22 THR A 87 26.919 29.478 -0.442 1.00 0.00 H ATOM 1378 H THR A 87 23.122 26.211 -0.612 1.00 0.00 H ATOM 1379 N PRO A 88 26.259 24.554 0.013 1.00 35.67 N ATOM 1380 CA PRO A 88 26.772 23.606 1.011 1.00 38.70 C ATOM 1381 C PRO A 88 27.717 24.098 2.107 1.00 41.51 C ATOM 1382 O PRO A 88 27.690 23.573 3.218 1.00 42.16 O ATOM 1383 CB PRO A 88 27.423 22.528 0.152 1.00 39.08 C ATOM 1384 CG PRO A 88 26.547 22.505 -1.039 1.00 38.97 C ATOM 1385 CD PRO A 88 26.376 23.974 -1.337 1.00 37.36 C ATOM 1386 HA PRO A 88 25.939 23.295 1.641 1.00 0.00 H ATOM 1387 HD3 PRO A 88 27.241 24.374 -1.866 1.00 0.00 H ATOM 1388 HD2 PRO A 88 25.477 24.156 -1.925 1.00 0.00 H ATOM 1389 HG3 PRO A 88 25.590 22.032 -0.817 1.00 0.00 H ATOM 1390 HG2 PRO A 88 27.023 21.986 -1.870 1.00 0.00 H ATOM 1391 HB2 PRO A 88 28.445 22.798 -0.114 1.00 0.00 H ATOM 1392 HB3 PRO A 88 27.424 21.564 0.661 1.00 0.00 H ATOM 1393 N SER A 89 28.558 25.080 1.804 1.00 44.08 N ATOM 1394 CA SER A 89 29.496 25.603 2.800 1.00 46.82 C ATOM 1395 C SER A 89 30.071 24.514 3.715 1.00 49.26 C ATOM 1396 O SER A 89 29.549 24.266 4.807 1.00 49.51 O ATOM 1397 CB SER A 89 28.812 26.664 3.658 1.00 46.61 C ATOM 1398 OG SER A 89 29.701 27.162 4.641 1.00 46.54 O ATOM 1399 HA SER A 89 30.327 26.036 2.243 1.00 0.00 H ATOM 1400 HB2 SER A 89 27.945 26.223 4.150 1.00 0.00 H ATOM 1401 HB3 SER A 89 28.487 27.486 3.020 1.00 0.00 H ATOM 1402 HG SER A 89 29.996 26.419 5.225 1.00 0.00 H ATOM 1403 H SER A 89 28.551 25.484 0.846 1.00 0.00 H ATOM 1404 N PRO A 90 31.163 23.856 3.284 1.00 50.68 N ATOM 1405 CA PRO A 90 31.818 22.791 4.055 1.00 51.26 C ATOM 1406 C PRO A 90 31.983 23.164 5.525 1.00 51.62 C ATOM 1407 O PRO A 90 31.436 22.508 6.413 1.00 51.40 O ATOM 1408 CB PRO A 90 33.160 22.636 3.345 1.00 51.23 C ATOM 1409 CG PRO A 90 32.802 22.911 1.923 1.00 51.88 C ATOM 1410 CD PRO A 90 31.911 24.135 2.044 1.00 51.17 C ATOM 1411 HA PRO A 90 31.241 21.867 4.083 1.00 0.00 H ATOM 1412 HD3 PRO A 90 32.502 25.047 2.135 1.00 0.00 H ATOM 1413 HD2 PRO A 90 31.241 24.222 1.189 1.00 0.00 H ATOM 1414 HG3 PRO A 90 32.263 22.072 1.482 1.00 0.00 H ATOM 1415 HG2 PRO A 90 33.689 23.125 1.327 1.00 0.00 H ATOM 1416 HB2 PRO A 90 33.888 23.357 3.715 1.00 0.00 H ATOM 1417 HB3 PRO A 90 33.556 21.628 3.465 1.00 0.00 H ATOM 1418 N GLN A 91 32.755 24.214 5.772 1.00 52.05 N ATOM 1419 CA GLN A 91 32.975 24.694 7.128 1.00 52.33 C ATOM 1420 C GLN A 91 32.043 25.876 7.351 1.00 50.84 C ATOM 1421 O GLN A 91 31.629 26.533 6.397 1.00 52.69 O ATOM 1422 CB GLN A 91 34.429 25.135 7.311 1.00 54.35 C ATOM 1423 CG GLN A 91 34.717 25.808 8.649 1.00 57.08 C ATOM 1424 CD GLN A 91 34.340 24.942 9.839 1.00 58.92 C ATOM 1425 OE1 GLN A 91 33.174 24.596 10.025 1.00 60.53 O ATOM 1426 NE2 GLN A 91 35.330 24.588 10.652 1.00 59.00 N ATOM 1427 HA GLN A 91 32.774 23.900 7.847 1.00 0.00 H ATOM 1428 HB2 GLN A 91 35.066 24.255 7.227 1.00 0.00 H ATOM 1429 HB3 GLN A 91 34.676 25.838 6.515 1.00 0.00 H ATOM 1430 HG2 GLN A 91 35.782 26.031 8.704 1.00 0.00 H ATOM 1431 HG3 GLN A 91 34.149 26.737 8.701 1.00 0.00 H ATOM 1432 HE22 GLN A 91 36.302 24.903 10.456 1.00 0.00 H ATOM 1433 HE21 GLN A 91 35.133 23.996 11.484 1.00 0.00 H ATOM 1434 H GLN A 91 33.214 24.705 4.978 1.00 0.00 H ATOM 1435 N ASN A 92 31.711 26.144 8.607 1.00 48.10 N ATOM 1436 CA ASN A 92 30.823 27.250 8.936 1.00 44.36 C ATOM 1437 C ASN A 92 29.456 26.986 8.311 1.00 41.84 C ATOM 1438 O ASN A 92 29.128 27.513 7.244 1.00 39.91 O ATOM 1439 CB ASN A 92 31.398 28.568 8.408 1.00 43.45 C ATOM 1440 CG ASN A 92 30.799 29.776 9.091 1.00 43.74 C ATOM 1441 OD1 ASN A 92 31.132 30.917 8.770 1.00 44.61 O ATOM 1442 ND2 ASN A 92 29.913 29.533 10.046 1.00 43.64 N ATOM 1443 HA ASN A 92 30.724 27.330 10.019 1.00 0.00 H ATOM 1444 HB2 ASN A 92 32.475 28.571 8.574 1.00 0.00 H ATOM 1445 HB3 ASN A 92 31.196 28.635 7.339 1.00 0.00 H ATOM 1446 HD22 ASN A 92 29.661 28.553 10.284 1.00 0.00 H ATOM 1447 HD21 ASN A 92 29.469 30.323 10.557 1.00 0.00 H ATOM 1448 H ASN A 92 32.093 25.552 9.372 1.00 0.00 H ATOM 1449 N ILE A 93 28.663 26.160 8.984 1.00 38.25 N ATOM 1450 CA ILE A 93 27.337 25.812 8.500 1.00 35.20 C ATOM 1451 C ILE A 93 26.397 27.012 8.480 1.00 33.77 C ATOM 1452 O ILE A 93 25.352 26.975 7.834 1.00 33.80 O ATOM 1453 CB ILE A 93 26.717 24.689 9.356 1.00 35.68 C ATOM 1454 CG1 ILE A 93 26.711 25.094 10.828 1.00 35.28 C ATOM 1455 CG2 ILE A 93 27.506 23.398 9.169 1.00 35.01 C ATOM 1456 CD1 ILE A 93 26.126 24.034 11.751 1.00 37.77 C ATOM 1457 HA ILE A 93 27.462 25.463 7.475 1.00 0.00 H ATOM 1458 HB ILE A 93 25.689 24.524 9.034 1.00 0.00 H ATOM 1459 HG12 ILE A 93 27.738 25.290 11.136 1.00 0.00 H ATOM 1460 HG13 ILE A 93 26.122 26.005 10.932 1.00 0.00 H ATOM 1461 HD11 ILE A 93 25.094 23.834 11.464 1.00 0.00 H ATOM 1462 HD12 ILE A 93 26.711 23.118 11.668 1.00 0.00 H ATOM 1463 HD13 ILE A 93 26.156 24.393 12.780 1.00 0.00 H ATOM 1464 HG21 ILE A 93 27.480 23.107 8.119 1.00 0.00 H ATOM 1465 HG22 ILE A 93 28.539 23.557 9.478 1.00 0.00 H ATOM 1466 HG23 ILE A 93 27.061 22.610 9.777 1.00 0.00 H ATOM 1467 H ILE A 93 28.999 25.752 9.880 1.00 0.00 H ATOM 1468 N SER A 94 26.768 28.080 9.179 1.00 31.78 N ATOM 1469 CA SER A 94 25.933 29.275 9.211 1.00 31.44 C ATOM 1470 C SER A 94 25.969 29.986 7.860 1.00 30.74 C ATOM 1471 O SER A 94 25.182 30.901 7.609 1.00 30.74 O ATOM 1472 CB SER A 94 26.408 30.230 10.310 1.00 32.23 C ATOM 1473 OG SER A 94 27.718 30.694 10.045 1.00 34.35 O ATOM 1474 HA SER A 94 24.909 28.970 9.425 1.00 0.00 H ATOM 1475 HB2 SER A 94 26.401 29.706 11.266 1.00 0.00 H ATOM 1476 HB3 SER A 94 25.730 31.082 10.360 1.00 0.00 H ATOM 1477 HG SER A 94 28.002 31.308 10.768 1.00 0.00 H ATOM 1478 H SER A 94 27.663 28.063 9.708 1.00 0.00 H ATOM 1479 N ASN A 95 26.884 29.556 6.995 1.00 29.59 N ATOM 1480 CA ASN A 95 27.031 30.139 5.666 1.00 28.48 C ATOM 1481 C ASN A 95 26.239 29.391 4.595 1.00 27.35 C ATOM 1482 O ASN A 95 26.246 29.781 3.421 1.00 24.82 O ATOM 1483 CB ASN A 95 28.505 30.178 5.273 1.00 29.60 C ATOM 1484 CG ASN A 95 29.214 31.408 5.798 1.00 31.63 C ATOM 1485 OD1 ASN A 95 28.810 31.994 6.805 1.00 32.11 O ATOM 1486 ND2 ASN A 95 30.290 31.798 5.125 1.00 32.81 N ATOM 1487 HA ASN A 95 26.625 31.149 5.722 1.00 0.00 H ATOM 1488 HB2 ASN A 95 28.997 29.292 5.675 1.00 0.00 H ATOM 1489 HB3 ASN A 95 28.577 30.170 4.185 1.00 0.00 H ATOM 1490 HD22 ASN A 95 30.594 31.273 4.280 1.00 0.00 H ATOM 1491 HD21 ASN A 95 30.829 32.629 5.442 1.00 0.00 H ATOM 1492 H ASN A 95 27.515 28.779 7.276 1.00 0.00 H ATOM 1493 N CYS A 96 25.564 28.315 4.987 1.00 24.35 N ATOM 1494 CA CYS A 96 24.770 27.563 4.025 1.00 23.63 C ATOM 1495 C CYS A 96 23.587 28.410 3.585 1.00 22.07 C ATOM 1496 O CYS A 96 22.986 29.125 4.390 1.00 22.04 O ATOM 1497 CB CYS A 96 24.265 26.248 4.626 1.00 23.50 C ATOM 1498 SG CYS A 96 25.570 25.001 4.851 1.00 25.39 S ATOM 1499 HA CYS A 96 25.401 27.322 3.169 1.00 0.00 H ATOM 1500 HB2 CYS A 96 23.504 25.835 3.963 1.00 0.00 H ATOM 1501 HB3 CYS A 96 23.821 26.461 5.598 1.00 0.00 H ATOM 1502 H CYS A 96 25.603 28.010 5.981 1.00 0.00 H ATOM 1503 N ARG A 97 23.271 28.340 2.299 1.00 21.64 N ATOM 1504 CA ARG A 97 22.156 29.094 1.749 1.00 20.73 C ATOM 1505 C ARG A 97 21.149 28.112 1.169 1.00 19.47 C ATOM 1506 O ARG A 97 21.511 27.002 0.769 1.00 19.46 O ATOM 1507 CB ARG A 97 22.656 30.052 0.665 1.00 22.38 C ATOM 1508 CG ARG A 97 23.784 30.972 1.134 1.00 23.05 C ATOM 1509 CD ARG A 97 24.174 31.966 0.050 1.00 26.26 C ATOM 1510 NE ARG A 97 23.166 33.005 -0.146 1.00 24.02 N ATOM 1511 CZ ARG A 97 23.016 34.061 0.647 1.00 26.90 C ATOM 1512 NH1 ARG A 97 23.812 34.225 1.696 1.00 27.45 N ATOM 1513 NH2 ARG A 97 22.074 34.960 0.389 1.00 25.81 N ATOM 1514 HA ARG A 97 21.681 29.686 2.531 1.00 0.00 H ATOM 1515 HB2 ARG A 97 23.020 29.462 -0.176 1.00 0.00 H ATOM 1516 HB3 ARG A 97 21.820 30.670 0.339 1.00 0.00 H ATOM 1517 HG2 ARG A 97 23.452 31.520 2.016 1.00 0.00 H ATOM 1518 HG3 ARG A 97 24.653 30.366 1.390 1.00 0.00 H ATOM 1519 HD2 ARG A 97 24.307 31.427 -0.888 1.00 0.00 H ATOM 1520 HD3 ARG A 97 25.114 32.440 0.332 1.00 0.00 H ATOM 1521 HE ARG A 97 22.524 32.912 -0.959 1.00 0.00 H ATOM 1522 HH12 ARG A 97 23.693 35.052 2.315 1.00 0.00 H ATOM 1523 HH11 ARG A 97 24.555 33.526 1.899 1.00 0.00 H ATOM 1524 HH22 ARG A 97 21.959 35.785 1.011 1.00 0.00 H ATOM 1525 HH21 ARG A 97 21.451 34.839 -0.435 1.00 0.00 H ATOM 1526 H ARG A 97 23.833 27.732 1.670 1.00 0.00 H ATOM 1527 N TYR A 98 19.884 28.517 1.130 1.00 18.06 N ATOM 1528 CA TYR A 98 18.827 27.660 0.614 1.00 16.45 C ATOM 1529 C TYR A 98 17.888 28.401 -0.325 1.00 17.61 C ATOM 1530 O TYR A 98 17.805 29.626 -0.303 1.00 15.86 O ATOM 1531 CB TYR A 98 17.974 27.093 1.759 1.00 15.39 C ATOM 1532 CG TYR A 98 18.650 26.063 2.642 1.00 15.83 C ATOM 1533 CD1 TYR A 98 19.619 26.435 3.568 1.00 15.31 C ATOM 1534 CD2 TYR A 98 18.311 24.712 2.547 1.00 15.98 C ATOM 1535 CE1 TYR A 98 20.239 25.482 4.383 1.00 16.28 C ATOM 1536 CE2 TYR A 98 18.921 23.755 3.353 1.00 16.26 C ATOM 1537 CZ TYR A 98 19.883 24.144 4.265 1.00 16.09 C ATOM 1538 OH TYR A 98 20.501 23.196 5.048 1.00 18.27 O ATOM 1539 HA TYR A 98 19.331 26.862 0.069 1.00 0.00 H ATOM 1540 HB3 TYR A 98 17.091 26.629 1.320 1.00 0.00 H ATOM 1541 HB2 TYR A 98 17.668 27.926 2.392 1.00 0.00 H ATOM 1542 HD2 TYR A 98 17.554 24.400 1.828 1.00 0.00 H ATOM 1543 HE2 TYR A 98 18.641 22.705 3.265 1.00 0.00 H ATOM 1544 HE1 TYR A 98 20.996 25.787 5.106 1.00 0.00 H ATOM 1545 HD1 TYR A 98 19.899 27.484 3.660 1.00 0.00 H ATOM 1546 HH TYR A 98 20.966 22.542 4.468 1.00 0.00 H ATOM 1547 H TYR A 98 19.644 29.468 1.476 1.00 0.00 H ATOM 1548 N ALA A 99 17.185 27.638 -1.153 1.00 17.88 N ATOM 1549 CA ALA A 99 16.183 28.202 -2.045 1.00 19.56 C ATOM 1550 C ALA A 99 14.881 27.839 -1.338 1.00 20.69 C ATOM 1551 O ALA A 99 14.870 26.936 -0.496 1.00 21.11 O ATOM 1552 CB ALA A 99 16.244 27.535 -3.416 1.00 18.89 C ATOM 1553 HA ALA A 99 16.309 29.270 -2.224 1.00 0.00 H ATOM 1554 HB1 ALA A 99 17.231 27.691 -3.851 1.00 0.00 H ATOM 1555 HB2 ALA A 99 16.058 26.466 -3.307 1.00 0.00 H ATOM 1556 HB3 ALA A 99 15.486 27.973 -4.066 1.00 0.00 H ATOM 1557 H ALA A 99 17.354 26.612 -1.165 1.00 0.00 H ATOM 1558 N GLN A 100 13.797 28.541 -1.647 1.00 20.16 N ATOM 1559 CA GLN A 100 12.518 28.230 -1.028 1.00 20.58 C ATOM 1560 C GLN A 100 11.439 28.032 -2.081 1.00 20.49 C ATOM 1561 O GLN A 100 11.328 28.807 -3.032 1.00 18.76 O ATOM 1562 CB GLN A 100 12.091 29.330 -0.047 1.00 21.84 C ATOM 1563 CG GLN A 100 12.108 30.747 -0.597 1.00 24.22 C ATOM 1564 CD GLN A 100 13.263 31.563 -0.042 1.00 26.75 C ATOM 1565 OE1 GLN A 100 13.525 31.545 1.162 1.00 26.59 O ATOM 1566 NE2 GLN A 100 13.955 32.290 -0.915 1.00 26.36 N ATOM 1567 HA GLN A 100 12.644 27.301 -0.472 1.00 0.00 H ATOM 1568 HB2 GLN A 100 11.075 29.110 0.282 1.00 0.00 H ATOM 1569 HB3 GLN A 100 12.764 29.295 0.810 1.00 0.00 H ATOM 1570 HG2 GLN A 100 12.199 30.702 -1.682 1.00 0.00 H ATOM 1571 HG3 GLN A 100 11.172 31.238 -0.332 1.00 0.00 H ATOM 1572 HE22 GLN A 100 13.699 32.275 -1.923 1.00 0.00 H ATOM 1573 HE21 GLN A 100 14.752 32.873 -0.590 1.00 0.00 H ATOM 1574 H GLN A 100 13.863 29.318 -2.336 1.00 0.00 H ATOM 1575 N THR A 101 10.648 26.981 -1.902 1.00 19.60 N ATOM 1576 CA THR A 101 9.571 26.659 -2.825 1.00 19.92 C ATOM 1577 C THR A 101 8.238 26.617 -2.091 1.00 20.62 C ATOM 1578 O THR A 101 8.012 25.741 -1.257 1.00 19.40 O ATOM 1579 CB THR A 101 9.802 25.288 -3.483 1.00 20.03 C ATOM 1580 OG1 THR A 101 10.987 25.340 -4.282 1.00 21.23 O ATOM 1581 CG2 THR A 101 8.613 24.898 -4.354 1.00 20.67 C ATOM 1582 HA THR A 101 9.554 27.434 -3.591 1.00 0.00 H ATOM 1583 HB THR A 101 9.915 24.539 -2.700 1.00 0.00 H ATOM 1584 HG1 THR A 101 11.761 25.567 -3.708 1.00 0.00 H ATOM 1585 HG23 THR A 101 7.712 24.860 -3.741 1.00 0.00 H ATOM 1586 HG21 THR A 101 8.485 25.638 -5.144 1.00 0.00 H ATOM 1587 HG22 THR A 101 8.795 23.919 -4.797 1.00 0.00 H ATOM 1588 H THR A 101 10.803 26.369 -1.076 1.00 0.00 H ATOM 1589 N PRO A 102 7.342 27.574 -2.385 1.00 19.10 N ATOM 1590 CA PRO A 102 6.030 27.618 -1.739 1.00 18.27 C ATOM 1591 C PRO A 102 5.076 26.688 -2.483 1.00 19.42 C ATOM 1592 O PRO A 102 5.169 26.540 -3.700 1.00 18.16 O ATOM 1593 CB PRO A 102 5.633 29.081 -1.877 1.00 19.09 C ATOM 1594 CG PRO A 102 6.187 29.429 -3.223 1.00 20.04 C ATOM 1595 CD PRO A 102 7.560 28.771 -3.218 1.00 18.88 C ATOM 1596 HA PRO A 102 6.019 27.290 -0.700 1.00 0.00 H ATOM 1597 HD3 PRO A 102 7.869 28.497 -4.227 1.00 0.00 H ATOM 1598 HD2 PRO A 102 8.309 29.427 -2.775 1.00 0.00 H ATOM 1599 HG3 PRO A 102 6.272 30.509 -3.343 1.00 0.00 H ATOM 1600 HG2 PRO A 102 5.562 29.024 -4.019 1.00 0.00 H ATOM 1601 HB2 PRO A 102 4.550 29.202 -1.851 1.00 0.00 H ATOM 1602 HB3 PRO A 102 6.084 29.690 -1.093 1.00 0.00 H ATOM 1603 N ALA A 103 4.176 26.045 -1.752 1.00 19.35 N ATOM 1604 CA ALA A 103 3.215 25.150 -2.379 1.00 20.56 C ATOM 1605 C ALA A 103 2.091 24.822 -1.413 1.00 20.99 C ATOM 1606 O ALA A 103 2.199 25.082 -0.217 1.00 22.81 O ATOM 1607 CB ALA A 103 3.912 23.863 -2.841 1.00 20.09 C ATOM 1608 HA ALA A 103 2.790 25.649 -3.250 1.00 0.00 H ATOM 1609 HB1 ALA A 103 4.691 24.112 -3.561 1.00 0.00 H ATOM 1610 HB2 ALA A 103 4.357 23.363 -1.981 1.00 0.00 H ATOM 1611 HB3 ALA A 103 3.181 23.203 -3.308 1.00 0.00 H ATOM 1612 H ALA A 103 4.157 26.181 -0.721 1.00 0.00 H ATOM 1613 N ASN A 104 1.004 24.270 -1.945 1.00 22.27 N ATOM 1614 CA ASN A 104 -0.142 23.874 -1.135 1.00 23.21 C ATOM 1615 C ASN A 104 -0.351 22.402 -1.425 1.00 22.73 C ATOM 1616 O ASN A 104 -0.821 22.029 -2.498 1.00 23.20 O ATOM 1617 CB ASN A 104 -1.381 24.680 -1.517 1.00 26.47 C ATOM 1618 CG ASN A 104 -1.181 26.162 -1.313 1.00 29.04 C ATOM 1619 OD1 ASN A 104 -0.490 26.817 -2.093 1.00 32.55 O ATOM 1620 ND2 ASN A 104 -1.766 26.699 -0.252 1.00 29.53 N ATOM 1621 HA ASN A 104 0.032 24.057 -0.075 1.00 0.00 H ATOM 1622 HB2 ASN A 104 -1.609 24.497 -2.567 1.00 0.00 H ATOM 1623 HB3 ASN A 104 -2.218 24.350 -0.902 1.00 0.00 H ATOM 1624 HD22 ASN A 104 -2.341 26.107 0.380 1.00 0.00 H ATOM 1625 HD21 ASN A 104 -1.650 27.713 -0.052 1.00 0.00 H ATOM 1626 H ASN A 104 0.970 24.116 -2.973 1.00 0.00 H ATOM 1627 N MET A 105 0.015 21.565 -0.462 1.00 19.25 N ATOM 1628 CA MET A 105 -0.075 20.130 -0.642 1.00 18.64 C ATOM 1629 C MET A 105 -0.649 19.410 0.571 1.00 17.73 C ATOM 1630 O MET A 105 -0.830 19.998 1.641 1.00 15.00 O ATOM 1631 CB MET A 105 1.326 19.583 -0.933 1.00 19.30 C ATOM 1632 CG MET A 105 2.067 20.330 -2.044 1.00 23.42 C ATOM 1633 SD MET A 105 3.826 19.924 -2.155 1.00 29.67 S ATOM 1634 CE MET A 105 3.776 18.331 -2.970 1.00 26.94 C ATOM 1635 HA MET A 105 -0.757 19.948 -1.473 1.00 0.00 H ATOM 1636 HB2 MET A 105 1.917 19.651 -0.020 1.00 0.00 H ATOM 1637 HB3 MET A 105 1.232 18.537 -1.226 1.00 0.00 H ATOM 1638 HG2 MET A 105 1.973 21.400 -1.860 1.00 0.00 H ATOM 1639 HG3 MET A 105 1.597 20.083 -2.996 1.00 0.00 H ATOM 1640 HE1 MET A 105 3.209 17.629 -2.358 1.00 0.00 H ATOM 1641 HE2 MET A 105 3.296 18.437 -3.943 1.00 0.00 H ATOM 1642 HE3 MET A 105 4.792 17.961 -3.103 1.00 0.00 H ATOM 1643 H MET A 105 0.373 21.946 0.437 1.00 0.00 H ATOM 1644 N PHE A 106 -0.947 18.132 0.375 1.00 16.85 N ATOM 1645 CA PHE A 106 -1.450 17.279 1.441 1.00 17.97 C ATOM 1646 C PHE A 106 -0.173 16.755 2.073 1.00 18.11 C ATOM 1647 O PHE A 106 0.893 16.792 1.451 1.00 17.00 O ATOM 1648 CB PHE A 106 -2.217 16.077 0.875 1.00 20.82 C ATOM 1649 CG PHE A 106 -3.440 16.441 0.090 1.00 23.84 C ATOM 1650 CD1 PHE A 106 -4.638 16.722 0.735 1.00 24.08 C ATOM 1651 CD2 PHE A 106 -3.394 16.500 -1.299 1.00 25.45 C ATOM 1652 CE1 PHE A 106 -5.776 17.056 0.007 1.00 25.49 C ATOM 1653 CE2 PHE A 106 -4.528 16.836 -2.037 1.00 27.07 C ATOM 1654 CZ PHE A 106 -5.720 17.114 -1.381 1.00 25.56 C ATOM 1655 HA PHE A 106 -2.124 17.811 2.113 1.00 0.00 H ATOM 1656 HB2 PHE A 106 -1.545 15.520 0.222 1.00 0.00 H ATOM 1657 HB3 PHE A 106 -2.522 15.443 1.708 1.00 0.00 H ATOM 1658 HD2 PHE A 106 -2.460 16.281 -1.817 1.00 0.00 H ATOM 1659 HE2 PHE A 106 -4.479 16.880 -3.125 1.00 0.00 H ATOM 1660 HZ PHE A 106 -6.610 17.377 -1.953 1.00 0.00 H ATOM 1661 HE1 PHE A 106 -6.711 17.272 0.525 1.00 0.00 H ATOM 1662 HD1 PHE A 106 -4.687 16.680 1.823 1.00 0.00 H ATOM 1663 H PHE A 106 -0.817 17.726 -0.574 1.00 0.00 H ATOM 1664 N TYR A 107 -0.264 16.269 3.302 1.00 15.83 N ATOM 1665 CA TYR A 107 0.913 15.712 3.934 1.00 16.95 C ATOM 1666 C TYR A 107 0.539 14.457 4.687 1.00 15.61 C ATOM 1667 O TYR A 107 -0.625 14.237 5.013 1.00 16.59 O ATOM 1668 CB TYR A 107 1.592 16.723 4.874 1.00 14.82 C ATOM 1669 CG TYR A 107 0.768 17.202 6.051 1.00 16.53 C ATOM 1670 CD1 TYR A 107 -0.002 18.360 5.964 1.00 16.62 C ATOM 1671 CD2 TYR A 107 0.801 16.523 7.270 1.00 17.59 C ATOM 1672 CE1 TYR A 107 -0.715 18.837 7.064 1.00 16.30 C ATOM 1673 CE2 TYR A 107 0.087 16.990 8.376 1.00 18.41 C ATOM 1674 CZ TYR A 107 -0.666 18.147 8.266 1.00 18.34 C ATOM 1675 OH TYR A 107 -1.366 18.614 9.357 1.00 17.65 O ATOM 1676 HA TYR A 107 1.632 15.467 3.153 1.00 0.00 H ATOM 1677 HB3 TYR A 107 1.865 17.596 4.282 1.00 0.00 H ATOM 1678 HB2 TYR A 107 2.495 16.256 5.268 1.00 0.00 H ATOM 1679 HD2 TYR A 107 1.394 15.613 7.360 1.00 0.00 H ATOM 1680 HE2 TYR A 107 0.122 16.447 9.320 1.00 0.00 H ATOM 1681 HE1 TYR A 107 -1.308 19.748 6.979 1.00 0.00 H ATOM 1682 HD1 TYR A 107 -0.048 18.903 5.020 1.00 0.00 H ATOM 1683 HH TYR A 107 -1.847 19.443 9.109 1.00 0.00 H ATOM 1684 H TYR A 107 -1.172 16.287 3.808 1.00 0.00 H ATOM 1685 N ILE A 108 1.533 13.611 4.914 1.00 15.23 N ATOM 1686 CA ILE A 108 1.332 12.375 5.641 1.00 15.28 C ATOM 1687 C ILE A 108 2.356 12.389 6.761 1.00 15.71 C ATOM 1688 O ILE A 108 3.551 12.521 6.514 1.00 16.63 O ATOM 1689 CB ILE A 108 1.561 11.145 4.734 1.00 14.80 C ATOM 1690 CG1 ILE A 108 0.489 11.110 3.637 1.00 13.54 C ATOM 1691 CG2 ILE A 108 1.510 9.862 5.562 1.00 14.80 C ATOM 1692 CD1 ILE A 108 0.715 10.044 2.581 1.00 16.26 C ATOM 1693 HA ILE A 108 0.310 12.304 6.014 1.00 0.00 H ATOM 1694 HB ILE A 108 2.545 11.219 4.271 1.00 0.00 H ATOM 1695 HG12 ILE A 108 -0.477 10.926 4.108 1.00 0.00 H ATOM 1696 HG13 ILE A 108 0.472 12.082 3.144 1.00 0.00 H ATOM 1697 HD11 ILE A 108 1.672 10.219 2.089 1.00 0.00 H ATOM 1698 HD12 ILE A 108 0.722 9.062 3.054 1.00 0.00 H ATOM 1699 HD13 ILE A 108 -0.087 10.088 1.844 1.00 0.00 H ATOM 1700 HG21 ILE A 108 2.287 9.893 6.326 1.00 0.00 H ATOM 1701 HG22 ILE A 108 0.534 9.777 6.039 1.00 0.00 H ATOM 1702 HG23 ILE A 108 1.673 9.004 4.910 1.00 0.00 H ATOM 1703 H ILE A 108 2.484 13.841 4.560 1.00 0.00 H ATOM 1704 N VAL A 109 1.879 12.278 7.994 1.00 16.24 N ATOM 1705 CA VAL A 109 2.766 12.274 9.146 1.00 16.76 C ATOM 1706 C VAL A 109 2.616 10.996 9.954 1.00 14.74 C ATOM 1707 O VAL A 109 1.542 10.391 9.991 1.00 14.33 O ATOM 1708 CB VAL A 109 2.476 13.461 10.088 1.00 17.14 C ATOM 1709 CG1 VAL A 109 2.856 14.770 9.409 1.00 21.25 C ATOM 1710 CG2 VAL A 109 1.006 13.463 10.477 1.00 19.22 C ATOM 1711 HA VAL A 109 3.779 12.352 8.751 1.00 0.00 H ATOM 1712 HB VAL A 109 3.074 13.357 10.993 1.00 0.00 H ATOM 1713 HG11 VAL A 109 3.918 14.756 9.165 1.00 0.00 H ATOM 1714 HG12 VAL A 109 2.274 14.886 8.495 1.00 0.00 H ATOM 1715 HG13 VAL A 109 2.647 15.601 10.083 1.00 0.00 H ATOM 1716 HG21 VAL A 109 0.394 13.556 9.580 1.00 0.00 H ATOM 1717 HG22 VAL A 109 0.765 12.530 10.987 1.00 0.00 H ATOM 1718 HG23 VAL A 109 0.809 14.304 11.142 1.00 0.00 H ATOM 1719 H VAL A 109 0.853 12.192 8.139 1.00 0.00 H ATOM 1720 N ALA A 110 3.706 10.582 10.586 1.00 13.64 N ATOM 1721 CA ALA A 110 3.682 9.405 11.432 1.00 13.17 C ATOM 1722 C ALA A 110 3.555 9.960 12.838 1.00 14.85 C ATOM 1723 O ALA A 110 4.202 10.958 13.179 1.00 15.74 O ATOM 1724 CB ALA A 110 4.978 8.603 11.286 1.00 13.78 C ATOM 1725 HA ALA A 110 2.871 8.724 11.174 1.00 0.00 H ATOM 1726 HB1 ALA A 110 5.094 8.288 10.249 1.00 0.00 H ATOM 1727 HB2 ALA A 110 5.824 9.227 11.575 1.00 0.00 H ATOM 1728 HB3 ALA A 110 4.935 7.725 11.931 1.00 0.00 H ATOM 1729 H ALA A 110 4.594 11.111 10.473 1.00 0.00 H ATOM 1730 N CYS A 111 2.710 9.327 13.643 1.00 14.53 N ATOM 1731 CA CYS A 111 2.483 9.757 15.014 1.00 16.09 C ATOM 1732 C CYS A 111 2.659 8.587 15.968 1.00 17.98 C ATOM 1733 O CYS A 111 2.441 7.435 15.592 1.00 18.32 O ATOM 1734 CB CYS A 111 1.064 10.288 15.168 1.00 14.00 C ATOM 1735 SG CYS A 111 0.551 11.519 13.937 1.00 15.65 S ATOM 1736 HA CYS A 111 3.204 10.540 15.248 1.00 0.00 H ATOM 1737 HB2 CYS A 111 0.981 10.745 16.154 1.00 0.00 H ATOM 1738 HB3 CYS A 111 0.380 9.442 15.102 1.00 0.00 H ATOM 1739 H CYS A 111 2.195 8.499 13.282 1.00 0.00 H ATOM 1740 N ASP A 112 3.035 8.895 17.206 1.00 19.17 N ATOM 1741 CA ASP A 112 3.231 7.885 18.244 1.00 20.57 C ATOM 1742 C ASP A 112 2.754 8.457 19.573 1.00 20.82 C ATOM 1743 O ASP A 112 2.373 9.627 19.657 1.00 20.40 O ATOM 1744 CB ASP A 112 4.716 7.511 18.389 1.00 22.75 C ATOM 1745 CG ASP A 112 5.210 6.594 17.282 1.00 27.22 C ATOM 1746 OD1 ASP A 112 4.469 5.665 16.892 1.00 28.78 O ATOM 1747 OD2 ASP A 112 6.354 6.788 16.814 1.00 29.39 O ATOM 1748 HA ASP A 112 2.670 6.993 17.966 1.00 0.00 H ATOM 1749 HB2 ASP A 112 5.308 8.426 18.372 1.00 0.00 H ATOM 1750 HB3 ASP A 112 4.856 7.007 19.345 1.00 0.00 H ATOM 1751 H ASP A 112 3.196 9.894 17.445 1.00 0.00 H ATOM 1752 N ASN A 113 2.766 7.630 20.612 1.00 19.51 N ATOM 1753 CA ASN A 113 2.378 8.103 21.928 1.00 19.51 C ATOM 1754 C ASN A 113 3.490 9.052 22.356 1.00 19.45 C ATOM 1755 O ASN A 113 4.636 8.898 21.927 1.00 18.17 O ATOM 1756 CB ASN A 113 2.253 6.935 22.905 1.00 19.69 C ATOM 1757 CG ASN A 113 1.095 6.022 22.556 1.00 21.73 C ATOM 1758 OD1 ASN A 113 0.001 6.489 22.243 1.00 22.77 O ATOM 1759 ND2 ASN A 113 1.325 4.718 22.618 1.00 22.45 N ATOM 1760 HA ASN A 113 1.407 8.599 21.914 1.00 0.00 H ATOM 1761 HB2 ASN A 113 3.177 6.357 22.882 1.00 0.00 H ATOM 1762 HB3 ASN A 113 2.099 7.331 23.909 1.00 0.00 H ATOM 1763 HD22 ASN A 113 2.267 4.368 22.888 1.00 0.00 H ATOM 1764 HD21 ASN A 113 0.564 4.045 22.397 1.00 0.00 H ATOM 1765 H ASN A 113 3.055 6.639 20.482 1.00 0.00 H ATOM 1766 N ARG A 114 3.150 10.033 23.185 1.00 18.43 N ATOM 1767 CA ARG A 114 4.121 11.020 23.637 1.00 19.40 C ATOM 1768 C ARG A 114 5.224 10.432 24.503 1.00 21.10 C ATOM 1769 O ARG A 114 5.097 9.327 25.036 1.00 20.46 O ATOM 1770 CB ARG A 114 3.423 12.126 24.433 1.00 18.14 C ATOM 1771 CG ARG A 114 2.924 11.672 25.806 1.00 17.95 C ATOM 1772 CD ARG A 114 2.289 12.810 26.600 1.00 18.63 C ATOM 1773 NE ARG A 114 1.768 12.344 27.889 1.00 19.34 N ATOM 1774 CZ ARG A 114 2.495 12.196 28.992 1.00 21.24 C ATOM 1775 NH1 ARG A 114 3.790 12.487 28.988 1.00 22.02 N ATOM 1776 NH2 ARG A 114 1.930 11.728 30.099 1.00 19.94 N ATOM 1777 HA ARG A 114 4.582 11.417 22.733 1.00 0.00 H ATOM 1778 HB2 ARG A 114 4.128 12.945 24.576 1.00 0.00 H ATOM 1779 HB3 ARG A 114 2.569 12.480 23.856 1.00 0.00 H ATOM 1780 HG2 ARG A 114 2.182 10.886 25.667 1.00 0.00 H ATOM 1781 HG3 ARG A 114 3.768 11.278 26.373 1.00 0.00 H ATOM 1782 HD2 ARG A 114 1.469 13.233 26.019 1.00 0.00 H ATOM 1783 HD3 ARG A 114 3.040 13.579 26.779 1.00 0.00 H ATOM 1784 HE ARG A 114 0.756 12.112 27.944 1.00 0.00 H ATOM 1785 HH12 ARG A 114 4.352 12.369 29.855 1.00 0.00 H ATOM 1786 HH11 ARG A 114 4.242 12.833 28.118 1.00 0.00 H ATOM 1787 HH22 ARG A 114 2.497 11.611 30.963 1.00 0.00 H ATOM 1788 HH21 ARG A 114 0.920 11.478 30.102 1.00 0.00 H ATOM 1789 H ARG A 114 2.167 10.098 23.519 1.00 0.00 H ATOM 1790 N ASP A 115 6.313 11.185 24.623 1.00 20.75 N ATOM 1791 CA ASP A 115 7.437 10.796 25.462 1.00 22.80 C ATOM 1792 C ASP A 115 6.876 10.901 26.880 1.00 22.52 C ATOM 1793 O ASP A 115 6.544 11.992 27.344 1.00 20.28 O ATOM 1794 CB ASP A 115 8.594 11.780 25.270 1.00 23.84 C ATOM 1795 CG ASP A 115 9.813 11.426 26.107 1.00 25.18 C ATOM 1796 OD1 ASP A 115 9.694 11.352 27.346 1.00 26.15 O ATOM 1797 OD2 ASP A 115 10.894 11.229 25.520 1.00 28.78 O ATOM 1798 HA ASP A 115 7.826 9.804 25.233 1.00 0.00 H ATOM 1799 HB2 ASP A 115 8.881 11.780 24.218 1.00 0.00 H ATOM 1800 HB3 ASP A 115 8.255 12.777 25.552 1.00 0.00 H ATOM 1801 H ASP A 115 6.364 12.082 24.100 1.00 0.00 H ATOM 1802 N GLN A 116 6.752 9.763 27.551 1.00 24.52 N ATOM 1803 CA GLN A 116 6.196 9.713 28.900 1.00 27.02 C ATOM 1804 C GLN A 116 6.801 10.707 29.881 1.00 27.71 C ATOM 1805 O GLN A 116 6.084 11.319 30.673 1.00 28.19 O ATOM 1806 CB GLN A 116 6.341 8.296 29.460 1.00 28.46 C ATOM 1807 CG GLN A 116 5.532 7.257 28.707 1.00 32.45 C ATOM 1808 CD GLN A 116 4.093 7.178 29.186 1.00 34.57 C ATOM 1809 OE1 GLN A 116 3.432 8.200 29.386 1.00 33.89 O ATOM 1810 NE2 GLN A 116 3.597 5.954 29.366 1.00 34.38 N ATOM 1811 HA GLN A 116 5.149 9.999 28.796 1.00 0.00 H ATOM 1812 HB2 GLN A 116 7.393 8.013 29.414 1.00 0.00 H ATOM 1813 HB3 GLN A 116 6.013 8.301 30.499 1.00 0.00 H ATOM 1814 HG2 GLN A 116 5.534 7.513 27.648 1.00 0.00 H ATOM 1815 HG3 GLN A 116 6.000 6.282 28.845 1.00 0.00 H ATOM 1816 HE22 GLN A 116 4.192 5.120 29.185 1.00 0.00 H ATOM 1817 HE21 GLN A 116 2.615 5.833 29.688 1.00 0.00 H ATOM 1818 H GLN A 116 7.061 8.878 27.101 1.00 0.00 H ATOM 1819 N ARG A 117 8.116 10.876 29.820 1.00 28.19 N ATOM 1820 CA ARG A 117 8.805 11.774 30.739 1.00 30.28 C ATOM 1821 C ARG A 117 8.940 13.231 30.329 1.00 28.06 C ATOM 1822 O ARG A 117 8.924 14.111 31.186 1.00 27.32 O ATOM 1823 CB ARG A 117 10.208 11.235 31.051 1.00 32.94 C ATOM 1824 CG ARG A 117 10.238 10.061 32.022 1.00 38.63 C ATOM 1825 CD ARG A 117 9.580 8.819 31.444 1.00 43.46 C ATOM 1826 NE ARG A 117 9.298 7.828 32.481 1.00 47.20 N ATOM 1827 CZ ARG A 117 8.660 6.680 32.269 1.00 48.92 C ATOM 1828 NH1 ARG A 117 8.233 6.366 31.051 1.00 49.02 N ATOM 1829 NH2 ARG A 117 8.436 5.851 33.280 1.00 50.20 N ATOM 1830 HA ARG A 117 8.145 11.784 31.606 1.00 0.00 H ATOM 1831 HB2 ARG A 117 10.664 10.913 30.115 1.00 0.00 H ATOM 1832 HB3 ARG A 117 10.796 12.046 31.480 1.00 0.00 H ATOM 1833 HG2 ARG A 117 11.276 9.829 32.261 1.00 0.00 H ATOM 1834 HG3 ARG A 117 9.712 10.345 32.933 1.00 0.00 H ATOM 1835 HD2 ARG A 117 10.247 8.377 30.704 1.00 0.00 H ATOM 1836 HD3 ARG A 117 8.644 9.105 30.964 1.00 0.00 H ATOM 1837 HE ARG A 117 9.617 8.034 33.449 1.00 0.00 H ATOM 1838 HH12 ARG A 117 7.735 5.467 30.890 1.00 0.00 H ATOM 1839 HH11 ARG A 117 8.397 7.019 30.258 1.00 0.00 H ATOM 1840 HH22 ARG A 117 7.937 4.953 33.116 1.00 0.00 H ATOM 1841 HH21 ARG A 117 8.759 6.099 34.237 1.00 0.00 H ATOM 1842 H ARG A 117 8.665 10.359 29.104 1.00 0.00 H ATOM 1843 N ARG A 118 9.057 13.499 29.033 1.00 27.95 N ATOM 1844 CA ARG A 118 9.269 14.872 28.591 1.00 27.10 C ATOM 1845 C ARG A 118 8.176 15.627 27.845 1.00 26.01 C ATOM 1846 O ARG A 118 8.139 16.852 27.904 1.00 25.74 O ATOM 1847 CB ARG A 118 10.569 14.932 27.794 1.00 26.37 C ATOM 1848 CG ARG A 118 11.778 14.549 28.631 1.00 29.50 C ATOM 1849 CD ARG A 118 13.044 14.583 27.813 1.00 28.56 C ATOM 1850 NE ARG A 118 13.009 13.606 26.732 1.00 29.34 N ATOM 1851 CZ ARG A 118 13.874 13.584 25.724 1.00 29.26 C ATOM 1852 NH1 ARG A 118 14.842 14.493 25.662 1.00 27.04 N ATOM 1853 NH2 ARG A 118 13.774 12.655 24.781 1.00 26.12 N ATOM 1854 HA ARG A 118 9.284 15.415 29.536 1.00 0.00 H ATOM 1855 HB2 ARG A 118 10.495 14.246 26.950 1.00 0.00 H ATOM 1856 HB3 ARG A 118 10.707 15.948 27.424 1.00 0.00 H ATOM 1857 HG2 ARG A 118 11.872 15.250 29.461 1.00 0.00 H ATOM 1858 HG3 ARG A 118 11.635 13.542 29.022 1.00 0.00 H ATOM 1859 HD2 ARG A 118 13.891 14.363 28.462 1.00 0.00 H ATOM 1860 HD3 ARG A 118 13.164 15.579 27.387 1.00 0.00 H ATOM 1861 HE ARG A 118 12.262 12.883 26.751 1.00 0.00 H ATOM 1862 HH12 ARG A 118 15.520 14.477 24.874 1.00 0.00 H ATOM 1863 HH11 ARG A 118 14.921 15.220 26.402 1.00 0.00 H ATOM 1864 HH22 ARG A 118 14.452 12.639 23.993 1.00 0.00 H ATOM 1865 HH21 ARG A 118 13.018 11.943 24.831 1.00 0.00 H ATOM 1866 H ARG A 118 8.997 12.730 28.335 1.00 0.00 H ATOM 1867 N ASP A 119 7.297 14.928 27.137 1.00 25.08 N ATOM 1868 CA ASP A 119 6.226 15.621 26.425 1.00 23.13 C ATOM 1869 C ASP A 119 5.098 15.989 27.377 1.00 22.70 C ATOM 1870 O ASP A 119 4.799 15.244 28.309 1.00 24.18 O ATOM 1871 CB ASP A 119 5.655 14.752 25.307 1.00 22.66 C ATOM 1872 CG ASP A 119 6.529 14.737 24.077 1.00 24.49 C ATOM 1873 OD1 ASP A 119 6.944 15.833 23.627 1.00 24.86 O ATOM 1874 OD2 ASP A 119 6.784 13.632 23.552 1.00 24.50 O ATOM 1875 HA ASP A 119 6.657 16.525 25.995 1.00 0.00 H ATOM 1876 HB2 ASP A 119 5.554 13.731 25.676 1.00 0.00 H ATOM 1877 HB3 ASP A 119 4.673 15.137 25.033 1.00 0.00 H ATOM 1878 H ASP A 119 7.371 13.892 27.089 1.00 0.00 H ATOM 1879 N PRO A 120 4.459 17.150 27.163 1.00 21.75 N ATOM 1880 CA PRO A 120 3.358 17.557 28.042 1.00 22.88 C ATOM 1881 C PRO A 120 2.135 16.641 27.884 1.00 22.91 C ATOM 1882 O PRO A 120 1.767 16.257 26.768 1.00 20.60 O ATOM 1883 CB PRO A 120 3.086 19.000 27.613 1.00 23.02 C ATOM 1884 CG PRO A 120 3.499 19.019 26.180 1.00 24.47 C ATOM 1885 CD PRO A 120 4.778 18.210 26.194 1.00 23.13 C ATOM 1886 HA PRO A 120 3.599 17.482 29.102 1.00 0.00 H ATOM 1887 HD3 PRO A 120 4.995 17.795 25.210 1.00 0.00 H ATOM 1888 HD2 PRO A 120 5.624 18.811 26.528 1.00 0.00 H ATOM 1889 HG3 PRO A 120 3.681 20.037 25.836 1.00 0.00 H ATOM 1890 HG2 PRO A 120 2.745 18.552 25.547 1.00 0.00 H ATOM 1891 HB2 PRO A 120 2.029 19.246 27.718 1.00 0.00 H ATOM 1892 HB3 PRO A 120 3.681 19.700 28.200 1.00 0.00 H ATOM 1893 N PRO A 121 1.492 16.281 29.007 1.00 21.63 N ATOM 1894 CA PRO A 121 0.313 15.405 29.018 1.00 22.06 C ATOM 1895 C PRO A 121 -0.861 15.900 28.175 1.00 21.11 C ATOM 1896 O PRO A 121 -1.792 15.147 27.875 1.00 21.63 O ATOM 1897 CB PRO A 121 -0.025 15.303 30.505 1.00 22.19 C ATOM 1898 CG PRO A 121 0.446 16.617 31.052 1.00 25.58 C ATOM 1899 CD PRO A 121 1.775 16.798 30.358 1.00 23.88 C ATOM 1900 HA PRO A 121 0.524 14.443 28.552 1.00 0.00 H ATOM 1901 HD3 PRO A 121 2.066 17.848 30.327 1.00 0.00 H ATOM 1902 HD2 PRO A 121 2.559 16.220 30.847 1.00 0.00 H ATOM 1903 HG3 PRO A 121 0.568 16.573 32.134 1.00 0.00 H ATOM 1904 HG2 PRO A 121 -0.245 17.421 30.798 1.00 0.00 H ATOM 1905 HB2 PRO A 121 -1.097 15.178 30.655 1.00 0.00 H ATOM 1906 HB3 PRO A 121 0.505 14.472 30.971 1.00 0.00 H ATOM 1907 N GLN A 122 -0.810 17.169 27.792 1.00 21.83 N ATOM 1908 CA GLN A 122 -1.857 17.764 26.979 1.00 22.41 C ATOM 1909 C GLN A 122 -2.134 16.961 25.704 1.00 21.15 C ATOM 1910 O GLN A 122 -3.287 16.801 25.303 1.00 21.15 O ATOM 1911 CB GLN A 122 -1.468 19.197 26.616 1.00 24.46 C ATOM 1912 CG GLN A 122 -2.365 19.840 25.581 1.00 28.33 C ATOM 1913 CD GLN A 122 -1.926 21.247 25.232 1.00 30.42 C ATOM 1914 OE1 GLN A 122 -0.734 21.567 25.276 1.00 32.69 O ATOM 1915 NE2 GLN A 122 -2.882 22.092 24.866 1.00 31.23 N ATOM 1916 HA GLN A 122 -2.774 17.760 27.568 1.00 0.00 H ATOM 1917 HB2 GLN A 122 -1.504 19.801 27.522 1.00 0.00 H ATOM 1918 HB3 GLN A 122 -0.450 19.187 26.227 1.00 0.00 H ATOM 1919 HG2 GLN A 122 -2.347 19.233 24.676 1.00 0.00 H ATOM 1920 HG3 GLN A 122 -3.382 19.877 25.973 1.00 0.00 H ATOM 1921 HE22 GLN A 122 -3.873 21.778 24.844 1.00 0.00 H ATOM 1922 HE21 GLN A 122 -2.640 23.068 24.601 1.00 0.00 H ATOM 1923 H GLN A 122 0.000 17.753 28.081 1.00 0.00 H ATOM 1924 N TYR A 123 -1.077 16.463 25.069 1.00 21.30 N ATOM 1925 CA TYR A 123 -1.215 15.688 23.838 1.00 19.05 C ATOM 1926 C TYR A 123 -0.686 14.267 23.986 1.00 17.38 C ATOM 1927 O TYR A 123 0.511 14.022 23.839 1.00 17.33 O ATOM 1928 CB TYR A 123 -0.465 16.364 22.689 1.00 18.63 C ATOM 1929 CG TYR A 123 -1.014 17.713 22.293 1.00 19.41 C ATOM 1930 CD1 TYR A 123 -2.356 17.867 21.951 1.00 18.24 C ATOM 1931 CD2 TYR A 123 -0.182 18.832 22.227 1.00 19.03 C ATOM 1932 CE1 TYR A 123 -2.858 19.102 21.550 1.00 19.85 C ATOM 1933 CE2 TYR A 123 -0.675 20.071 21.826 1.00 17.63 C ATOM 1934 CZ TYR A 123 -2.011 20.198 21.489 1.00 18.96 C ATOM 1935 OH TYR A 123 -2.501 21.420 21.084 1.00 19.98 O ATOM 1936 HA TYR A 123 -2.282 15.643 23.622 1.00 0.00 H ATOM 1937 HB3 TYR A 123 -0.511 15.708 21.819 1.00 0.00 H ATOM 1938 HB2 TYR A 123 0.575 16.494 22.990 1.00 0.00 H ATOM 1939 HD2 TYR A 123 0.870 18.734 22.494 1.00 0.00 H ATOM 1940 HE2 TYR A 123 -0.013 20.935 21.778 1.00 0.00 H ATOM 1941 HE1 TYR A 123 -3.910 19.207 21.286 1.00 0.00 H ATOM 1942 HD1 TYR A 123 -3.024 17.007 21.998 1.00 0.00 H ATOM 1943 HH TYR A 123 -3.467 21.337 20.882 1.00 0.00 H ATOM 1944 H TYR A 123 -0.127 16.630 25.459 1.00 0.00 H ATOM 1945 N PRO A 124 -1.574 13.308 24.272 1.00 16.37 N ATOM 1946 CA PRO A 124 -1.130 11.920 24.424 1.00 15.51 C ATOM 1947 C PRO A 124 -0.575 11.342 23.122 1.00 16.15 C ATOM 1948 O PRO A 124 0.260 10.437 23.140 1.00 16.53 O ATOM 1949 CB PRO A 124 -2.393 11.204 24.905 1.00 15.97 C ATOM 1950 CG PRO A 124 -3.507 12.032 24.326 1.00 16.86 C ATOM 1951 CD PRO A 124 -3.016 13.440 24.541 1.00 16.85 C ATOM 1952 HA PRO A 124 -0.298 11.810 25.120 1.00 0.00 H ATOM 1953 HD3 PRO A 124 -3.487 14.134 23.845 1.00 0.00 H ATOM 1954 HD2 PRO A 124 -3.199 13.772 25.563 1.00 0.00 H ATOM 1955 HG3 PRO A 124 -4.444 11.857 24.855 1.00 0.00 H ATOM 1956 HG2 PRO A 124 -3.645 11.821 23.266 1.00 0.00 H ATOM 1957 HB2 PRO A 124 -2.430 10.182 24.528 1.00 0.00 H ATOM 1958 HB3 PRO A 124 -2.443 11.190 25.994 1.00 0.00 H ATOM 1959 N VAL A 125 -1.039 11.876 21.995 1.00 15.89 N ATOM 1960 CA VAL A 125 -0.587 11.421 20.680 1.00 16.05 C ATOM 1961 C VAL A 125 0.025 12.599 19.934 1.00 15.84 C ATOM 1962 O VAL A 125 -0.588 13.659 19.829 1.00 15.92 O ATOM 1963 CB VAL A 125 -1.767 10.841 19.861 1.00 16.33 C ATOM 1964 CG1 VAL A 125 -1.322 10.530 18.440 1.00 17.78 C ATOM 1965 CG2 VAL A 125 -2.282 9.576 20.536 1.00 14.62 C ATOM 1966 HA VAL A 125 0.155 10.633 20.813 1.00 0.00 H ATOM 1967 HB VAL A 125 -2.568 11.579 19.819 1.00 0.00 H ATOM 1968 HG11 VAL A 125 -0.972 11.445 17.962 1.00 0.00 H ATOM 1969 HG12 VAL A 125 -0.513 9.800 18.466 1.00 0.00 H ATOM 1970 HG13 VAL A 125 -2.163 10.123 17.878 1.00 0.00 H ATOM 1971 HG21 VAL A 125 -1.479 8.841 20.588 1.00 0.00 H ATOM 1972 HG22 VAL A 125 -2.622 9.816 21.543 1.00 0.00 H ATOM 1973 HG23 VAL A 125 -3.112 9.170 19.958 1.00 0.00 H ATOM 1974 H VAL A 125 -1.743 12.639 22.051 1.00 0.00 H ATOM 1975 N VAL A 126 1.230 12.410 19.404 1.00 16.04 N ATOM 1976 CA VAL A 126 1.919 13.492 18.709 1.00 15.27 C ATOM 1977 C VAL A 126 2.616 13.085 17.418 1.00 15.09 C ATOM 1978 O VAL A 126 3.007 11.931 17.243 1.00 14.73 O ATOM 1979 CB VAL A 126 2.989 14.121 19.627 1.00 15.84 C ATOM 1980 CG1 VAL A 126 2.327 14.891 20.756 1.00 17.78 C ATOM 1981 CG2 VAL A 126 3.881 13.022 20.200 1.00 14.59 C ATOM 1982 HA VAL A 126 1.127 14.194 18.449 1.00 0.00 H ATOM 1983 HB VAL A 126 3.596 14.812 19.043 1.00 0.00 H ATOM 1984 HG11 VAL A 126 1.705 15.683 20.338 1.00 0.00 H ATOM 1985 HG12 VAL A 126 1.708 14.212 21.343 1.00 0.00 H ATOM 1986 HG13 VAL A 126 3.094 15.329 21.395 1.00 0.00 H ATOM 1987 HG21 VAL A 126 3.272 12.325 20.776 1.00 0.00 H ATOM 1988 HG22 VAL A 126 4.370 12.490 19.384 1.00 0.00 H ATOM 1989 HG23 VAL A 126 4.635 13.469 20.848 1.00 0.00 H ATOM 1990 H VAL A 126 1.687 11.479 19.486 1.00 0.00 H ATOM 1991 N PRO A 127 2.768 14.036 16.482 1.00 15.46 N ATOM 1992 CA PRO A 127 3.442 13.726 15.218 1.00 14.72 C ATOM 1993 C PRO A 127 4.927 13.594 15.536 1.00 15.29 C ATOM 1994 O PRO A 127 5.463 14.372 16.327 1.00 13.49 O ATOM 1995 CB PRO A 127 3.146 14.950 14.365 1.00 16.65 C ATOM 1996 CG PRO A 127 3.136 16.057 15.391 1.00 16.04 C ATOM 1997 CD PRO A 127 2.322 15.440 16.510 1.00 15.33 C ATOM 1998 HA PRO A 127 3.127 12.811 14.716 1.00 0.00 H ATOM 1999 HD3 PRO A 127 2.548 15.908 17.468 1.00 0.00 H ATOM 2000 HD2 PRO A 127 1.253 15.519 16.312 1.00 0.00 H ATOM 2001 HG3 PRO A 127 2.657 16.955 15.001 1.00 0.00 H ATOM 2002 HG2 PRO A 127 4.146 16.300 15.722 1.00 0.00 H ATOM 2003 HB2 PRO A 127 3.924 15.109 13.618 1.00 0.00 H ATOM 2004 HB3 PRO A 127 2.180 14.862 13.868 1.00 0.00 H ATOM 2005 N VAL A 128 5.591 12.607 14.945 1.00 16.52 N ATOM 2006 CA VAL A 128 7.012 12.405 15.213 1.00 17.51 C ATOM 2007 C VAL A 128 7.849 12.372 13.946 1.00 18.48 C ATOM 2008 O VAL A 128 9.077 12.408 14.006 1.00 19.75 O ATOM 2009 CB VAL A 128 7.256 11.087 15.989 1.00 17.06 C ATOM 2010 CG1 VAL A 128 6.633 11.172 17.374 1.00 17.95 C ATOM 2011 CG2 VAL A 128 6.672 9.912 15.223 1.00 16.64 C ATOM 2012 HA VAL A 128 7.320 13.260 15.815 1.00 0.00 H ATOM 2013 HB VAL A 128 8.330 10.936 16.096 1.00 0.00 H ATOM 2014 HG11 VAL A 128 7.083 11.999 17.923 1.00 0.00 H ATOM 2015 HG12 VAL A 128 5.560 11.338 17.279 1.00 0.00 H ATOM 2016 HG13 VAL A 128 6.812 10.239 17.909 1.00 0.00 H ATOM 2017 HG21 VAL A 128 5.599 10.059 15.097 1.00 0.00 H ATOM 2018 HG22 VAL A 128 7.148 9.845 14.245 1.00 0.00 H ATOM 2019 HG23 VAL A 128 6.851 8.992 15.780 1.00 0.00 H ATOM 2020 H VAL A 128 5.095 11.973 14.286 1.00 0.00 H ATOM 2021 N HIS A 129 7.186 12.321 12.796 1.00 18.45 N ATOM 2022 CA HIS A 129 7.896 12.258 11.528 1.00 19.36 C ATOM 2023 C HIS A 129 7.029 12.698 10.349 1.00 18.89 C ATOM 2024 O HIS A 129 5.847 12.370 10.278 1.00 16.83 O ATOM 2025 CB HIS A 129 8.377 10.822 11.300 1.00 22.03 C ATOM 2026 CG HIS A 129 8.951 10.579 9.939 1.00 26.25 C ATOM 2027 ND1 HIS A 129 10.146 11.127 9.524 1.00 29.80 N ATOM 2028 CD2 HIS A 129 8.494 9.841 8.899 1.00 28.04 C ATOM 2029 CE1 HIS A 129 10.400 10.737 8.288 1.00 29.81 C ATOM 2030 NE2 HIS A 129 9.414 9.956 7.885 1.00 30.14 N ATOM 2031 HA HIS A 129 8.739 12.947 11.583 1.00 0.00 H ATOM 2032 HB2 HIS A 129 9.144 10.596 12.041 1.00 0.00 H ATOM 2033 HB3 HIS A 129 7.530 10.151 11.439 1.00 0.00 H ATOM 2034 HD2 HIS A 129 7.570 9.264 8.872 1.00 0.00 H ATOM 2035 HE1 HIS A 129 11.275 11.013 7.700 1.00 0.00 H ATOM 2036 H HIS A 129 6.146 12.326 12.802 1.00 0.00 H ATOM 2037 N LEU A 130 7.624 13.453 9.432 1.00 18.39 N ATOM 2038 CA LEU A 130 6.915 13.896 8.235 1.00 18.79 C ATOM 2039 C LEU A 130 7.291 12.869 7.179 1.00 20.12 C ATOM 2040 O LEU A 130 8.423 12.844 6.706 1.00 18.32 O ATOM 2041 CB LEU A 130 7.378 15.290 7.803 1.00 16.68 C ATOM 2042 CG LEU A 130 6.713 15.824 6.529 1.00 17.69 C ATOM 2043 CD1 LEU A 130 5.198 15.721 6.658 1.00 17.26 C ATOM 2044 CD2 LEU A 130 7.129 17.274 6.292 1.00 17.29 C ATOM 2045 HA LEU A 130 5.840 13.967 8.398 1.00 0.00 H ATOM 2046 HB2 LEU A 130 7.163 15.985 8.615 1.00 0.00 H ATOM 2047 HB3 LEU A 130 8.454 15.253 7.634 1.00 0.00 H ATOM 2048 HG LEU A 130 7.036 15.226 5.677 1.00 0.00 H ATOM 2049 HD21 LEU A 130 6.819 17.883 7.141 1.00 0.00 H ATOM 2050 HD22 LEU A 130 8.212 17.326 6.181 1.00 0.00 H ATOM 2051 HD23 LEU A 130 6.651 17.644 5.385 1.00 0.00 H ATOM 2052 HD11 LEU A 130 4.917 14.678 6.803 1.00 0.00 H ATOM 2053 HD12 LEU A 130 4.867 16.310 7.513 1.00 0.00 H ATOM 2054 HD13 LEU A 130 4.731 16.102 5.750 1.00 0.00 H ATOM 2055 H LEU A 130 8.616 13.734 9.570 1.00 0.00 H ATOM 2056 N ASP A 131 6.342 12.019 6.808 1.00 21.87 N ATOM 2057 CA ASP A 131 6.627 10.970 5.846 1.00 23.06 C ATOM 2058 C ASP A 131 6.558 11.397 4.388 1.00 24.15 C ATOM 2059 O ASP A 131 7.338 10.914 3.562 1.00 23.38 O ATOM 2060 CB ASP A 131 5.690 9.784 6.092 1.00 24.74 C ATOM 2061 CG ASP A 131 6.234 8.491 5.525 1.00 24.84 C ATOM 2062 OD1 ASP A 131 5.874 8.133 4.386 1.00 26.12 O ATOM 2063 OD2 ASP A 131 7.038 7.839 6.220 1.00 26.99 O ATOM 2064 HA ASP A 131 7.668 10.691 6.011 1.00 0.00 H ATOM 2065 HB2 ASP A 131 5.551 9.664 7.166 1.00 0.00 H ATOM 2066 HB3 ASP A 131 4.728 9.994 5.624 1.00 0.00 H ATOM 2067 H ASP A 131 5.387 12.105 7.210 1.00 0.00 H ATOM 2068 N ARG A 132 5.647 12.310 4.063 1.00 23.81 N ATOM 2069 CA ARG A 132 5.523 12.742 2.680 1.00 25.33 C ATOM 2070 C ARG A 132 4.565 13.903 2.443 1.00 24.38 C ATOM 2071 O ARG A 132 3.660 14.154 3.236 1.00 23.22 O ATOM 2072 CB ARG A 132 5.092 11.550 1.816 1.00 27.53 C ATOM 2073 CG ARG A 132 4.979 11.870 0.343 1.00 30.51 C ATOM 2074 CD ARG A 132 5.267 10.649 -0.498 1.00 33.64 C ATOM 2075 NE ARG A 132 6.506 9.997 -0.085 1.00 35.54 N ATOM 2076 CZ ARG A 132 7.309 9.332 -0.909 1.00 36.34 C ATOM 2077 NH1 ARG A 132 7.007 9.237 -2.197 1.00 35.48 N ATOM 2078 NH2 ARG A 132 8.407 8.750 -0.443 1.00 36.84 N ATOM 2079 HA ARG A 132 6.509 13.115 2.402 1.00 0.00 H ATOM 2080 HB2 ARG A 132 5.826 10.753 1.939 1.00 0.00 H ATOM 2081 HB3 ARG A 132 4.120 11.204 2.168 1.00 0.00 H ATOM 2082 HG2 ARG A 132 3.969 12.220 0.130 1.00 0.00 H ATOM 2083 HG3 ARG A 132 5.694 12.653 0.092 1.00 0.00 H ATOM 2084 HD2 ARG A 132 5.355 10.950 -1.542 1.00 0.00 H ATOM 2085 HD3 ARG A 132 4.443 9.943 -0.393 1.00 0.00 H ATOM 2086 HE ARG A 132 6.777 10.057 0.917 1.00 0.00 H ATOM 2087 HH12 ARG A 132 7.636 8.716 -2.842 1.00 0.00 H ATOM 2088 HH11 ARG A 132 6.141 9.683 -2.562 1.00 0.00 H ATOM 2089 HH22 ARG A 132 9.034 8.230 -1.089 1.00 0.00 H ATOM 2090 HH21 ARG A 132 8.640 8.814 0.569 1.00 0.00 H ATOM 2091 H ARG A 132 5.027 12.713 4.794 1.00 0.00 H ATOM 2092 N ILE A 133 4.793 14.622 1.348 1.00 23.00 N ATOM 2093 CA ILE A 133 3.930 15.726 0.964 1.00 23.88 C ATOM 2094 C ILE A 133 3.445 15.393 -0.446 1.00 25.94 C ATOM 2095 O ILE A 133 4.201 14.852 -1.260 1.00 25.86 O ATOM 2096 CB ILE A 133 4.676 17.092 0.985 1.00 22.40 C ATOM 2097 CG1 ILE A 133 5.923 17.037 0.108 1.00 21.30 C ATOM 2098 CG2 ILE A 133 5.043 17.453 2.418 1.00 23.05 C ATOM 2099 CD1 ILE A 133 6.671 18.359 0.021 1.00 22.94 C ATOM 2100 HA ILE A 133 3.105 15.835 1.668 1.00 0.00 H ATOM 2101 HB ILE A 133 4.017 17.862 0.584 1.00 0.00 H ATOM 2102 HG12 ILE A 133 6.599 16.286 0.517 1.00 0.00 H ATOM 2103 HG13 ILE A 133 5.623 16.745 -0.898 1.00 0.00 H ATOM 2104 HD11 ILE A 133 6.013 19.120 -0.398 1.00 0.00 H ATOM 2105 HD12 ILE A 133 6.989 18.661 1.019 1.00 0.00 H ATOM 2106 HD13 ILE A 133 7.545 18.239 -0.620 1.00 0.00 H ATOM 2107 HG21 ILE A 133 4.135 17.527 3.017 1.00 0.00 H ATOM 2108 HG22 ILE A 133 5.691 16.680 2.832 1.00 0.00 H ATOM 2109 HG23 ILE A 133 5.565 18.410 2.428 1.00 0.00 H ATOM 2110 H ILE A 133 5.611 14.388 0.750 1.00 0.00 H ATOM 2111 N ILE A 134 2.180 15.694 -0.724 1.00 27.65 N ATOM 2112 CA ILE A 134 1.591 15.389 -2.023 1.00 29.73 C ATOM 2113 C ILE A 134 0.891 16.592 -2.636 1.00 30.78 C ATOM 2114 O ILE A 134 0.024 17.176 -1.953 1.00 30.50 O ATOM 2115 CB ILE A 134 0.560 14.238 -1.907 1.00 29.47 C ATOM 2116 CG1 ILE A 134 1.247 12.963 -1.417 1.00 30.40 C ATOM 2117 CG2 ILE A 134 -0.116 13.996 -3.252 1.00 31.88 C ATOM 2118 CD1 ILE A 134 1.506 12.931 0.068 1.00 28.56 C ATOM 2119 HA ILE A 134 2.419 15.094 -2.668 1.00 0.00 H ATOM 2120 OXT ILE A 134 1.212 16.923 -3.799 1.00 33.67 O ATOM 2121 HB ILE A 134 -0.204 14.522 -1.183 1.00 0.00 H ATOM 2122 HG12 ILE A 134 0.613 12.114 -1.672 1.00 0.00 H ATOM 2123 HG13 ILE A 134 2.203 12.870 -1.933 1.00 0.00 H ATOM 2124 HD11 ILE A 134 2.150 13.767 0.341 1.00 0.00 H ATOM 2125 HD12 ILE A 134 0.559 13.010 0.602 1.00 0.00 H ATOM 2126 HD13 ILE A 134 1.995 11.993 0.330 1.00 0.00 H ATOM 2127 HG21 ILE A 134 -0.629 14.904 -3.568 1.00 0.00 H ATOM 2128 HG22 ILE A 134 0.637 13.727 -3.993 1.00 0.00 H ATOM 2129 HG23 ILE A 134 -0.837 13.185 -3.154 1.00 0.00 H ATOM 2130 H ILE A 134 1.597 16.158 0.002 1.00 0.00 H TER 2131 ILE A 134 HETATM 2132 O HOH 1 21.090 12.926 20.414 1.00 23.28 O HETATM 2133 O HOH 2 14.059 10.617 22.419 1.00 26.80 O HETATM 2134 O HOH 3 17.967 11.552 20.168 1.00 30.14 O HETATM 2135 O HOH 4 21.972 21.370 21.207 1.00 19.17 O HETATM 2136 O HOH 5 12.690 17.503 26.030 1.00 28.58 O HETATM 2137 O HOH 6 9.017 31.838 15.478 1.00 24.96 O HETATM 2138 O HOH 7 6.894 20.722 24.075 1.00 29.39 O HETATM 2139 O HOH 8 9.864 22.237 19.842 1.00 35.42 O HETATM 2140 O HOH 9 22.792 33.913 5.889 1.00 29.76 O HETATM 2141 O HOH 10 15.887 13.940 12.280 1.00 23.63 O HETATM 2142 O HOH 11 7.165 22.866 22.074 1.00 33.89 O HETATM 2143 O HOH 12 12.597 25.932 13.962 1.00 11.53 O HETATM 2144 O HOH 13 19.884 20.421 -5.074 1.00 35.50 O HETATM 2145 O HOH 14 10.907 15.583 12.766 1.00 26.19 O HETATM 2146 O HOH 15 5.672 28.943 9.879 1.00 25.35 O HETATM 2147 O HOH 16 4.179 25.609 17.260 1.00 24.33 O HETATM 2148 O HOH 17 10.640 24.867 17.803 1.00 23.99 O HETATM 2149 O HOH 18 7.797 32.043 9.357 1.00 20.82 O HETATM 2150 O HOH 19 8.301 29.591 14.084 1.00 27.35 O HETATM 2151 O HOH 20 13.347 27.718 11.816 1.00 13.95 O HETATM 2152 O HOH 21 16.076 31.936 13.427 1.00 26.35 O HETATM 2153 O HOH 22 10.996 33.859 14.886 1.00 28.50 O HETATM 2154 O HOH 23 -11.894 9.474 11.344 1.00 37.06 O HETATM 2155 O HOH 24 8.314 32.514 2.087 1.00 24.84 O HETATM 2156 O HOH 25 4.232 36.251 3.236 1.00 25.65 O HETATM 2157 O HOH 26 21.186 28.312 6.368 1.00 17.36 O HETATM 2158 O HOH 27 19.682 35.032 5.700 1.00 42.75 O HETATM 2159 O HOH 28 20.302 28.990 14.677 1.00 20.86 O HETATM 2160 O HOH 29 23.083 20.744 18.893 1.00 27.17 O HETATM 2161 O HOH 30 17.407 14.898 9.296 1.00 40.57 O HETATM 2162 O HOH 31 29.169 18.833 9.349 1.00 46.22 O HETATM 2163 O HOH 32 25.110 14.183 7.682 1.00 40.70 O HETATM 2164 O HOH 33 9.196 9.048 22.391 1.00 37.40 O HETATM 2165 O HOH 34 25.110 19.163 3.179 1.00 28.56 O HETATM 2166 O HOH 35 26.969 20.243 6.238 1.00 29.88 O HETATM 2167 O HOH 36 3.401 18.041 22.445 1.00 30.30 O HETATM 2168 O HOH 37 20.690 16.275 4.783 1.00 28.80 O HETATM 2169 O HOH 38 20.147 20.296 -2.506 1.00 37.57 O HETATM 2170 O HOH 39 18.927 16.709 -3.557 1.00 30.91 O HETATM 2171 O HOH 40 18.135 14.369 -0.269 1.00 38.96 O HETATM 2172 O HOH 41 17.456 16.257 3.192 1.00 32.84 O HETATM 2173 O HOH 42 11.146 17.696 5.189 1.00 17.35 O HETATM 2174 O HOH 43 10.047 12.273 0.744 1.00 43.30 O HETATM 2175 O HOH 44 1.820 25.627 16.152 1.00 21.48 O HETATM 2176 O HOH 45 -0.679 24.562 17.809 1.00 25.84 O HETATM 2177 O HOH 46 -6.351 19.115 11.353 1.00 23.15 O HETATM 2178 O HOH 47 -9.875 15.893 18.120 1.00 35.72 O HETATM 2179 O HOH 48 -9.105 13.796 13.549 1.00 35.37 O HETATM 2180 O HOH 49 -6.644 16.937 19.641 1.00 31.33 O HETATM 2181 O HOH 50 -5.335 19.264 18.599 1.00 29.39 O HETATM 2182 O HOH 51 -9.840 8.087 12.676 1.00 14.86 O HETATM 2183 O HOH 52 -5.430 9.175 7.278 1.00 18.54 O HETATM 2184 O HOH 53 -6.983 2.479 13.689 1.00 28.14 O HETATM 2185 O HOH 54 -6.367 1.598 8.608 1.00 19.56 O HETATM 2186 O HOH 55 -2.119 -0.354 5.742 1.00 45.77 O HETATM 2187 O HOH 56 5.131 2.141 1.826 1.00 42.88 O HETATM 2188 O HOH 57 8.222 5.230 7.509 1.00 37.65 O HETATM 2189 O HOH 58 2.944 -2.328 2.762 1.00 37.32 O HETATM 2190 O HOH 59 3.420 0.912 12.787 1.00 31.63 O HETATM 2191 O HOH 60 -4.998 0.124 6.549 1.00 25.93 O HETATM 2192 O HOH 61 -4.150 -1.436 10.332 1.00 29.58 O HETATM 2193 O HOH 62 -0.556 6.458 14.778 1.00 21.88 O HETATM 2194 O HOH 63 -2.515 12.350 -1.289 1.00 34.91 O HETATM 2195 O HOH 64 -7.782 16.559 8.920 1.00 39.00 O HETATM 2196 O HOH 65 -7.605 21.000 0.753 1.00 30.64 O HETATM 2197 O HOH 66 3.311 28.474 0.928 1.00 25.74 O HETATM 2198 O HOH 67 13.339 19.358 -3.970 1.00 37.85 O HETATM 2199 O HOH 68 13.208 25.252 -2.613 1.00 28.70 O HETATM 2200 O HOH 69 17.652 19.952 -2.281 1.00 25.99 O HETATM 2201 O HOH 70 19.883 23.440 -5.277 1.00 30.77 O HETATM 2202 O HOH 71 26.794 21.459 3.910 1.00 30.28 O HETATM 2203 O HOH 72 22.570 26.974 8.181 1.00 14.63 O HETATM 2204 O HOH 73 24.021 31.620 5.226 1.00 29.85 O HETATM 2205 O HOH 74 26.802 32.364 2.540 1.00 36.94 O HETATM 2206 O HOH 75 16.214 31.307 1.477 1.00 22.20 O HETATM 2207 O HOH 76 13.490 30.119 -4.019 1.00 18.19 O HETATM 2208 O HOH 77 1.092 24.054 -4.978 1.00 25.46 O HETATM 2209 O HOH 78 1.486 28.433 -1.093 1.00 34.65 O HETATM 2210 O HOH 79 8.069 8.376 18.733 1.00 30.63 O HETATM 2211 O HOH 80 3.749 5.296 20.099 1.00 36.17 O HETATM 2212 O HOH 81 6.994 9.931 21.034 1.00 25.36 O HETATM 2213 O HOH 82 6.519 7.127 23.403 1.00 46.10 O HETATM 2214 O HOH 83 3.269 7.766 26.209 1.00 25.15 O HETATM 2215 O HOH 84 -0.901 12.526 27.819 1.00 15.40 O HETATM 2216 O HOH 85 11.310 11.287 22.696 1.00 32.20 O HETATM 2217 O HOH 86 3.958 2.896 30.117 1.00 30.40 O HETATM 2218 O HOH 87 7.792 7.350 26.680 1.00 32.70 O HETATM 2219 O HOH 88 15.506 16.426 27.837 1.00 25.66 O HETATM 2220 O HOH 89 5.991 18.144 22.746 1.00 26.77 O HETATM 2221 O HOH 90 7.944 12.524 21.136 1.00 16.22 O HETATM 2222 O HOH 91 2.711 15.825 24.238 1.00 16.80 O HETATM 2223 O HOH 92 0.132 19.348 29.246 1.00 28.03 O HETATM 2224 O HOH 93 -0.994 23.596 20.540 1.00 24.52 O HETATM 2225 O HOH 94 -5.564 21.558 20.807 1.00 39.25 O HETATM 2226 O HOH 95 -2.748 14.023 21.515 1.00 13.39 O HETATM 2227 O HOH 96 10.836 14.069 15.009 1.00 18.53 O HETATM 2228 O HOH 97 7.635 14.045 0.337 1.00 29.62 O HETATM 2229 O HOH 98 -1.433 18.266 -3.730 1.00 34.28 O HETATM 2230 O HOH 99 2.901 15.002 -5.337 1.00 36.34 O HETATM 2231 O HOH 100 -4.570 24.436 7.974 1.00 22.49 O HETATM 2232 PB ADP A 101 13.245 14.583 7.013 1.00 0.21 P HETATM 2233 O1B ADP A 101 14.821 14.735 6.559 1.00 -0.59 O HETATM 2234 O2B ADP A 101 12.699 15.796 7.490 1.00 -0.59 O HETATM 2235 O3B ADP A 101 12.366 13.989 6.000 1.00 -0.59 O HETATM 2236 O3A ADP A 101 13.302 13.583 8.135 1.00 -0.15 O HETATM 2237 PA ADP A 101 12.875 13.697 9.560 1.00 0.33 P HETATM 2238 O1A ADP A 101 13.486 14.814 10.258 1.00 -0.56 O HETATM 2239 O2A ADP A 101 11.394 13.822 9.656 1.00 -0.56 O HETATM 2240 O5 ADP A 101 13.204 12.242 10.301 1.00 -0.24 O HETATM 2241 C5 ADP A 101 12.848 12.059 11.763 1.00 0.11 C HETATM 2242 C4 ADP A 101 13.228 10.684 12.301 1.00 0.12 C HETATM 2243 O4 ADP A 101 12.078 9.938 12.749 1.00 -0.34 O HETATM 2244 C1 ADP A 101 12.225 8.497 12.697 1.00 0.20 C HETATM 2245 C2 ADP A 101 13.649 8.342 12.119 1.00 0.14 C HETATM 2246 C3 ADP A 101 13.912 9.697 11.356 1.00 0.11 C HETATM 2247 O3 ADP A 101 15.242 10.089 11.082 1.00 -0.39 O HETATM 2248 H5 ADP A 101 15.241 10.947 10.675 1.00 0.21 H HETATM 2249 H4 ADP A 101 13.387 9.665 10.390 1.00 0.06 H HETATM 2250 O2 ADP A 101 14.663 8.062 13.123 1.00 -0.38 O HETATM 2251 H7 ADP A 101 14.462 7.239 13.553 1.00 0.21 H HETATM 2252 H6 ADP A 101 13.657 7.510 11.399 1.00 0.07 H HETATM 2253 N9 ADP A 101 11.108 7.831 11.827 1.00 -0.19 N HETATM 2254 C8 ADP A 101 11.035 7.572 10.469 1.00 0.11 C HETATM 2255 N7 ADP A 101 9.873 6.975 10.160 1.00 -0.30 N HETATM 2256 C5 ADP A 101 9.191 6.843 11.299 1.00 0.10 C HETATM 2257 C6 ADP A 101 7.843 6.251 11.548 1.00 0.13 C HETATM 2258 N6 ADP A 101 7.011 5.712 10.637 1.00 -0.32 N HETATM 2259 H10 ADP A 101 6.100 5.333 10.932 1.00 0.18 H HETATM 2260 H11 ADP A 101 7.285 5.679 9.645 1.00 0.18 H HETATM 2261 N1 ADP A 101 7.378 6.258 12.922 1.00 -0.27 N HETATM 2262 C2 ADP A 101 8.122 6.785 14.006 1.00 0.05 C HETATM 2263 N3 ADP A 101 9.392 7.338 13.738 1.00 -0.27 N HETATM 2264 C4 ADP A 101 9.954 7.385 12.413 1.00 0.16 C HETATM 2265 H12 ADP A 101 7.726 6.764 15.015 1.00 0.10 H HETATM 2266 H9 ADP A 101 11.814 7.819 9.749 1.00 0.13 H HETATM 2267 H8 ADP A 101 12.177 8.066 13.708 1.00 0.10 H HETATM 2268 H3 ADP A 101 13.901 10.863 13.152 1.00 0.07 H HETATM 2269 H1 ADP A 101 11.762 12.193 11.879 1.00 0.06 H HETATM 2270 H2 ADP A 101 13.377 12.824 12.351 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 392 391 1313 CONECT 623 622 1498 CONECT 906 905 1735 CONECT 996 995 1141 CONECT 1141 996 1140 CONECT 1313 392 1312 CONECT 1498 623 1497 CONECT 1735 906 1734 CONECT 2232 2233 2234 2235 2236 CONECT 2233 2232 CONECT 2234 2232 CONECT 2235 2232 CONECT 2236 2232 2237 CONECT 2237 2236 2238 2239 2240 CONECT 2238 2237 CONECT 2239 2237 CONECT 2240 2237 2241 CONECT 2241 2240 2242 2269 2270 CONECT 2242 2241 2243 2246 2268 CONECT 2243 2242 2244 CONECT 2244 2243 2245 2253 2267 CONECT 2245 2244 2246 2250 2252 CONECT 2246 2242 2245 2247 2249 CONECT 2247 2246 2248 CONECT 2248 2247 CONECT 2249 2246 CONECT 2250 2245 2251 CONECT 2251 2250 CONECT 2252 2245 CONECT 2253 2244 2254 2264 CONECT 2254 2253 2255 2266 CONECT 2255 2254 2256 CONECT 2256 2255 2257 2264 CONECT 2257 2256 2258 2261 CONECT 2258 2257 2259 2260 CONECT 2259 2258 CONECT 2260 2258 CONECT 2261 2257 2262 CONECT 2262 2261 2263 2265 CONECT 2263 2262 2264 CONECT 2264 2253 2256 2263 CONECT 2265 2262 CONECT 2266 2254 CONECT 2267 2244 CONECT 2268 2242 CONECT 2269 2241 CONECT 2270 2241 MASTER 0 0 0 0 0 0 0 0 2269 1 51 11 END
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Related entries of code: 2c02
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
135aa, >1HI3_1|Chain... at 100%
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PDBbind
135aa, >1HI4_1|Chain... at 100%
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135aa, >2BZZ_1|Chain... at 100%
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
1amw
RCSB PDB
PDBbind
ADP
1ao0
RCSB PDB
PDBbind
ADP
1atr
RCSB PDB
PDBbind
ADP
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RCSB PDB
PDBbind
ADP
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PDBbind
ADP
1lkx
RCSB PDB
PDBbind
ADP
1m74
RCSB PDB
PDBbind
ADP
1o0h
RCSB PDB
PDBbind
ADP
1t3t
RCSB PDB
PDBbind
ADP
1ucn
RCSB PDB
PDBbind
ADP
1xxi
RCSB PDB
PDBbind
ADP
1y8o
RCSB PDB
PDBbind
ADP
2bfr
RCSB PDB
PDBbind
ADP
2e2p
RCSB PDB
PDBbind
ADP
2hmv
RCSB PDB
PDBbind
ADP
2ja3
RCSB PDB
PDBbind
ADP
2o1v
RCSB PDB
PDBbind
ADP
2qv7
RCSB PDB
PDBbind
ADP
2r6f
RCSB PDB
PDBbind
ADP
2rio
RCSB PDB
PDBbind
ADP
2vhj
RCSB PDB
PDBbind
ADP
2y8i
RCSB PDB
PDBbind
ADP
2y8l
RCSB PDB
PDBbind
ADP
2y8q
RCSB PDB
PDBbind
ADP
2z4r
RCSB PDB
PDBbind
ADP
2zkj
RCSB PDB
PDBbind
ADP
3a1d
RCSB PDB
PDBbind
ADP
3atu
RCSB PDB
PDBbind
ADP
3atv
RCSB PDB
PDBbind
ADP
3ay9
RCSB PDB
PDBbind
ADP
3bf1
RCSB PDB
PDBbind
ADP
3bxz
RCSB PDB
PDBbind
ADP
3c7n
RCSB PDB
PDBbind
ADP
3cf1
RCSB PDB
PDBbind
ADP
3d2r
RCSB PDB
PDBbind
ADP
3dgn
RCSB PDB
PDBbind
ADP
3i73
RCSB PDB
PDBbind
ADP
3iuc
RCSB PDB
PDBbind
ADP
3k1j
RCSB PDB
PDBbind
ADP
3llm
RCSB PDB
PDBbind
ADP
3mle
RCSB PDB
PDBbind
ADP
3ncr
RCSB PDB
PDBbind
ADP
3p23
RCSB PDB
PDBbind
ADP
3qc9
RCSB PDB
PDBbind
ADP
3qxh
RCSB PDB
PDBbind
ADP
3rup
RCSB PDB
PDBbind
ADP
3rv3
RCSB PDB
PDBbind
ADP
3rv4
RCSB PDB
PDBbind
ADP
3t4n
RCSB PDB
PDBbind
ADP
3ta1
RCSB PDB
PDBbind
ADP
3tif
RCSB PDB
PDBbind
ADP
3vx3
RCSB PDB
PDBbind
ADP
4c3k
RCSB PDB
PDBbind
ADP
4i3z
RCSB PDB
PDBbind
ADP
4kod
RCSB PDB
PDBbind
ADP
4lj5
RCSB PDB
PDBbind
ADP
4lj8
RCSB PDB
PDBbind
ADP
4nxu
RCSB PDB
PDBbind
ADP
4oag
RCSB PDB
PDBbind
ADP
4ocp
RCSB PDB
PDBbind
ADP
4ozj
RCSB PDB
PDBbind
ADP
4u0s
RCSB PDB
PDBbind
ADP
4u0u
RCSB PDB
PDBbind
ADP
4uoh
RCSB PDB
PDBbind
ADP
4zki
RCSB PDB
PDBbind
ADP
5evz
RCSB PDB
PDBbind
ADP
5fsx
RCSB PDB
PDBbind
ADP
6czd
RCSB PDB
PDBbind
ADP
6f3f
RCSB PDB
PDBbind
ADP
6fa5
RCSB PDB
PDBbind
ADP
6faa
RCSB PDB
PDBbind
ADP
6fac
RCSB PDB
PDBbind
ADP
6fhk
RCSB PDB
PDBbind
ADP
6n9l
RCSB PDB
PDBbind
ADP
6mmc
RCSB PDB
PDBbind
ADP
6hys
RCSB PDB
PDBbind
ADP
6cjj
RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
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Entry Information
PDB ID
2c02
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
nonsecretory ribonuclease
Ligand Name
ADP
EC.Number
E.C.3.1.27.5
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=92uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistryv45;pp.416
Ligand Properties
Formula
C
1
0
H
1
7
N
5
O
1
0
P
2
Molecular Weight
429.217
Exact Mass
429.045
No. of atoms
44
No. of bonds
46
Polar Surface Area
266.1
LOGP Value
-4.89 (
Computed with XLOGP3
)
-2.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H19N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-22,26-27H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P10153
Entrez Gene ID
NCBI Entrez Gene ID:
6036
ASD
Information of known allosteric effects of PDB entries
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